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EVODEX.1-P1704

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:19]([C@:18]([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:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])[H:94])[H:93])([O:17][H:85])[H:92])([C:20]([O:21][H:88])([H:89])[H:90])[H:91])[H:86]>>[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)[N:19]([C@:18]([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:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])[H:94])[H:93])([O:17][H:85])[H:92])([C:20]([O:21][H:88])([H:89])[H:90])[H:91])[H:86]

Derived Operators

EVODEX.1-F28 - Elemental Balance

C14
O1
H26

EVODEX.1-M96 - Mass Difference

210.19848

EVODEX.1-E470 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:23]-[#7:24](-[H:30])-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:24](-[#6:23])-[H:30])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C317 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:10]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10]

EVODEX.1-N367 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:10](-[#6:9])-[H:125]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10](-[#6:9])-[H:125]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R6310

Full Reaction Rendering

[H][N:35]([C@:34]([C@@:32]([C:31](=[C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C:17]([H:72])([H:73])[H:74])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])[H:47])[H:46])([O:33][H:38])[H:45])([C:36]([O:37][H:41])([H:42])[H:43])[H:44])[H:39].[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:15])[O:16][H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([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]>>[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:15])[N:35]([C:34]([C:32]([C:31](=[C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C:17]([H:72])([H:73])[H:74])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])[H:47])[H:46])([O:33][H:38])[H:45])([C:36]([O:37][H:41])([H:42])[H:43])[H:44])[H:39])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([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][O:16][H:75]

EVODEX.1-R2261

Full Reaction Rendering

[H][N:19]([C@:18]([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:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])[H:94])[H:93])([O:17][H:85])[H:92])([C:20]([O:21][H:88])([H:89])[H:90])[H:91])[H:86].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[O:36])[S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:122])([C:50]([C:51]([H:123])([H:124])[H:125])([C:52]([H:126])([H:127])[H:128])[C:53]([O:54][P:55](=[O:56])([O:57][H:129])[O:58][P:59](=[O:60])([O:61][H:130])[O:62][C:63]([C@@:64]1([H:131])[O:65][C@:66]([N:67]2:[C:68]([H:132]):[N:69]:[C:70]3:[C:71]([N:72]([H:133])[H:134]):[N:73]:[C:74]([H:135]):[N:75]:[C:76]:2:3)([H:136])[C@@:77]([O:78][H:137])([H:138])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:139])[O:84][H:140])[H:141])([H:142])[H:143])([H:144])[H:145])[H:146])[H:147])([H:148])[H:149])([H:150])[H:151])[H:152])([H:153])[H:154])([H:155])[H:156])([H:157])[H:158])([H:159])[H:160])([H:161])[H:162])([H:163])[H:164])([H:165])[H:166])([H:167])[H:168])([H:169])[H:170])([H:171])[H:172])([H:173])[H:174])([H:175])[H:176])([H:177])[H:178])([H:179])[H:180])([H:181])([H:182])[H:183]>>[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:17][H:85])([C@@:18]([N:19]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:181])([H:182])[H:183])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])([H:169])[H:170])([H:167])[H:168])([H:165])[H:166])([H:163])[H:164])([H:161])[H:162])([H:159])[H:160])([H:157])[H:158])=[O:36])[H:86])([C:20]([O:21][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][S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:122])([C:50]([C:51]([H:123])([H:124])[H:125])([C:52]([H:126])([H:127])[H:128])[C:53]([O:54][P:55](=[O:56])([O:57][H:129])[O:58][P:59](=[O:60])([O:61][H:130])[O:62][C:63]([C@@:64]1([H:131])[O:65][C@:66]([N:67]2:[C:68]([H:132]):[N:69]:[C:70]3:[C:71]([N:72]([H:133])[H:134]):[N:73]:[C:74]([H:135]):[N:75]:[C:76]:2:3)([H:136])[C@@:77]([O:78][H:137])([H:138])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:139])[O:84][H:140])[H:141])([H:142])[H:143])([H:144])[H:145])[H:146])[H:147])([H:148])[H:149])([H:150])[H:151])[H:152])([H:153])[H:154])([H:155])[H:156]