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EVODEX.1-Nm83

SMIRKS

Operator SMIRKS Rendering

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

Source Partial Reactions

EVODEX.1-P3897

Partial Reaction Rendering

[H]C([H])([H])C(=O)O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18].[H][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([O:13][H:34])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33]

EVODEX.1-P3907

Partial Reaction Rendering

[H]C([H])([H])C(=O)O[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6](=[C:5]([C:4](=[C:3]([C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])[H:42])[H:41])[H:40])[H:39])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24].[H][O:19][H:48]>>[C:1]([C:2]([C:3](=[C:4]([C:5](=[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([O:19][H:48])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])[H:40])[H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47]

EVODEX.1-P3908

Partial Reaction Rendering

[H]C([H])([H])C(=O)O[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6](=[C:5]([C:4]([C:3](=[C:2]([C:1]([H:45])([H:46])[H:47])[H:44])[H:43])([H:41])[H:42])[H:40])[H:39])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24].[H][O:19][H:48]>>[C:1]([C:2](=[C:3]([C:4]([C:5](=[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([O:19][H:48])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])[H:40])([H:41])[H:42])[H:43])[H:44])([H:45])([H:46])[H:47]

EVODEX.1-P3929

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C:22]([C@@:21]([O:20][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:116])([H:117])[H:118])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])[H:101])[H:100])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])=[O:19])([C:41]([O:42][P:43](=[O:44])([O:45][H:81])[O:46][H:82])([H:83])[H:84])[H:85])([H:79])[H:80].[H][O:47][H:119]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C@:21]([C:22]([O:47][H:119])([H:79])[H:80])([C:41]([O:42][P:43](=[O:44])([O:45][H:81])[O:46][H:82])([H:83])[H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])([H:117])[H:118]

EVODEX.1-P3933

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C:22]([C@@:21]([O:20][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:124])([H:125])[H:126])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])[H:109])[H:108])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])=[O:19])([C:41]([O:42][P:43](=[O:44])([O:45][H:84])[O:46][C:47]([C:48]([N:49]([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])([H:82])[H:83].[H][O:50][H:127]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C@:21]([C:22]([O:50][H:127])([H:82])[H:83])([C:41]([O:42][P:43](=[O:44])([O:45][H:84])[O:46][C:47]([C:48]([N:49]([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])([H:125])[H:126]

EVODEX.1-P4032

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C:26]([C@@:25]([O:24][C:22]([C:21]([C:20]([C:19](=[C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:136])([H:137])[H:138])([H:134])[H:135])[H:133])[H:132])([H:130])[H:131])[H:129])[H:128])([H:126])[H:127])[H:125])[H:124])([H:122])[H:123])[H:121])[H:120])([H:118])[H:119])[H:117])[H:116])([H:114])[H:115])[H:113])[H:112])([H:110])[H:111])([H:108])[H:109])=[O:23])([C:45]([O:46][P:47](=[O:48])([O:49][H:91])[O:50][C:51]([C:52]([N+:53]([C:54]([H:92])([H:93])[H:94])([C:55]([H:95])([H:96])[H:97])[C:56]([H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])[H:107])([H:89])[H:90].[H][O:57][H:139]>>[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22](=[O:23])[O:24][C@:25]([C:26]([O:57][H:139])([H:89])[H:90])([C:45]([O:46][P:47](=[O:48])([O:49][H:91])[O:50][C:51]([C:52]([N+:53]([C:54]([H:92])([H:93])[H:94])([C:55]([H:95])([H:96])[H:97])[C:56]([H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])[H:112])[H:113])([H:114])[H:115])[H:116])[H:117])([H:118])[H:119])[H:120])[H:121])([H:122])[H:123])[H:124])[H:125])([H:126])[H:127])[H:128])[H:129])([H:130])[H:131])[H:132])[H:133])([H:134])[H:135])([H:136])([H:137])[H:138]

EVODEX.1-P4040

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C:23]([C@@:22]([O:21][C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:135])([H:136])[H:137])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])[H:126])[H:125])([H:123])[H:124])[H:122])[H:121])([H:119])[H:120])[H:118])[H:117])([H:115])[H:116])[H:114])[H:113])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([C:42]([O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C:49]([N+:50]([C:51]([H:89])([H:90])[H:91])([C:52]([H:92])([H:93])[H:94])[C:53]([H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:86])[H:87].[H][O:54][H:138]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20]([O:21][C@:22]([C:23]([O:54][H:138])([H:86])[H:87])([C:42]([O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C:49]([N+:50]([C:51]([H:89])([H:90])[H:91])([C:52]([H:92])([H:93])[H:94])[C:53]([H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])[H:117])[H:118])([H:119])[H:120])[H:121])[H:122])([H:123])[H:124])[H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([H:135])([H:136])[H:137]

EVODEX.1-P4043

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C:23]([C:22]([O:21][C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])[H:116])[H:115])([H:113])[H:114])[H:112])[H:111])([H:109])[H:110])[H:108])[H:107])([H:105])[H:106])[H:104])[H:103])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([C:42]([O:43][P:44](=[O:45])([O:46][H:85])[O:47][C:48]([C:49]([N:50]([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])[H:94])([H:83])[H:84].[H][O:51][H:128]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20]([O:21][C:22]([C:23]([O:51][H:128])([H:83])[H:84])([C:42]([O:43][P:44](=[O:45])([O:46][H:85])[O:47][C:48]([C:49]([N:50]([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])[H:104])([H:105])[H:106])[H:107])[H:108])([H:109])[H:110])[H:111])[H:112])([H:113])[H:114])[H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])([H:126])[H:127]

EVODEX.1-P4074

Partial Reaction Rendering

[H]C([H])([H])C(=O)O[C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26].[H][O:21][H:58]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([O:21][H:58])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57]

EVODEX.1-P4075

Partial Reaction Rendering

[H]C([H])([H])C(=O)O[C:11]([C@:9]([C@:7]([C@@:6]1([H:36])[C@@:5]([N:4]([C:2]([C:1]([H:44])([H:45])[H:46])=[O:3])[H:43])([H:26])[C@:23]([O:24][H:41])([H:42])[C:22]([H:39])([H:40])[C@@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[O:16]1)([O:8][H:27])[H:35])([O:10][H:28])[H:34])([H:32])[H:33].[H][O:25][H:47]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C@@:6]([C@:7]([O:8][H:27])([C@:9]([O:10][H:28])([C:11]([O:25][H:47])([H:32])[H:33])[H:34])[H:35])([H:36])[O:16][C@:17]([O:18][H:37])([C:19](=[O:20])[O:21][H:38])[C:22]([H:39])([H:40])[C@@:23]1([O:24][H:41])[H:42])[H:43])([H:44])([H:45])[H:46]

EVODEX.1-P4452

Partial Reaction Rendering

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:25][H:62]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([O:25][H:62])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61]

EVODEX.1-P4468

Partial Reaction Rendering

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EVODEX.1-P4485

Partial Reaction Rendering

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EVODEX.1-P4488

Partial Reaction Rendering

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EVODEX.1-P4489

Partial Reaction Rendering

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