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EVODEX.1-P4251

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[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]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:28][C:29]([C:30]([N+:31]([C:32]([H:64])([H:65])[H:66])([C:33]([H:67])([H:68])[H:69])[C:34]([H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([O:35][C:36](=[O:37])[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([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: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])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])([H:146])[H:147].[H][O:58][C:57]([C:56]([N:55]([H:157])[H:158])([C:59]([O:60][H:151])([H:152])[H:153])[C:61]([O:62][H:154])([H:155])[H:156])([H:149])[H:150]>>[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]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:58][C:57]([C:56]([N:55]([H:157])[H:158])([C:59]([O:60][H:151])([H:152])[H:153])[C:61]([O:62][H:154])([H:155])[H:156])([H:149])[H:150])([H:77])[H:78])([O:35][C:36](=[O:37])[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([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: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])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])([H:146])[H:147].[H][O:28][C:29]([C:30]([N+:31]([C:32]([H:64])([H:65])[H:66])([C:33]([H:67])([H:68])[H:69])[C:34]([H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E244 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:18](-[#6@:17])-[H].[#8:21]=[#15:22](-[#8:23])(-[#8:24])-[#8:25]-[#6@@:26]>>[#8:18](-[#6@:17])-[#15:22](=[#8:21])(-[#8:23])-[#8:24].[#8:25](-[#6@@:26])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N99 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]-[#6:29].[H]-[#8:58]-[#6:57]>>[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:58]-[#6:57].[H]-[#8:28]-[#6:29]

EVODEX.1-Em66 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm79 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

Source Full Reactions

EVODEX.1-R5098

Full Reaction Rendering

[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]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:28][C:29]([C:30]([N+:31]([C:32]([H:64])([H:65])[H:66])([C:33]([H:67])([H:68])[H:69])[C:34]([H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([O:35][C:36](=[O:37])[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([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: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])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])([H:146])[H:147].[H][O:58][C:57]([C:56]([N:55]([H:157])[H:158])([C:59]([O:60][H:151])([H:152])[H:153])[C:61]([O:62][H:154])([H:155])[H:156])([H:149])[H:150]>>[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]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:58][C:57]([C:56]([N:55]([H:157])[H:158])([C:59]([O:60][H:151])([H:152])[H:153])[C:61]([O:62][H:154])([H:155])[H:156])([H:149])[H:150])([H:77])[H:78])([O:35][C:36](=[O:37])[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([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: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])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])([H:146])[H:147].[H][O:28][C:29]([C:30]([N+:31]([C:32]([H:64])([H:65])[H:66])([C:33]([H:67])([H:68])[H:69])[C:34]([H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76]