EVODEX.1-P1850

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[C:8]([O:9][H:67])([C:10]([C:11](=[O:12])[O:13][H:68])([H:69])[H:70])[C:14]([N+:15]([C:16]([H:71])([H:72])[H:73])([C:17]([H:74])([H:75])[H:76])[C:18]([H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])([H:85])[H:86].[H][S:66][C:65]([C:64]([N:63]([C:61]([C:60]([C:59]([N:58]([C:56]([C@@:54]([C:20]([C:19]([H:120])([H:121])[H:122])([C:21]([H:87])([H:88])[H:89])[C:22]([O:23][P:24](=[O:25])([O:26][H:90])[O:27][P:28](=[O:29])([O:30][H:91])[O:31][C:32]([C@@:33]1([H:92])[O:34][C@:35]([N:36]2:[C:37]([H:93]):[N:38]:[C:39]3:[C:40]([N:41]([H:94])[H:95]):[N:42]:[C:43]([H:96]):[N:44]:[C:45]:2:3)([H:97])[C@@:46]([O:47][H:98])([H:99])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:100])[O:53][H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([O:55][H:107])[H:119])=[O:57])[H:118])([H:116])[H:117])([H:114])[H:115])=[O:62])[H:113])([H:111])[H:112])([H:109])[H:110]>>[H][C@@:8]([O:9][H:67])([C:10]([C:11](=[O:12])[O:13][H:68])([H:69])[H:70])[C:14]([N+:15]([C:16]([H:71])([H:72])[H:73])([C:17]([H:74])([H:75])[H:76])[C:18]([H:77])([H:78])[H:79])([H:80])[H:81].[C:1](=[C:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[S:66][C:65]([C:64]([N:63]([C:61]([C:60]([C:59]([N:58]([C:56]([C@@:54]([C:20]([C:19]([H:120])([H:121])[H:122])([C:21]([H:87])([H:88])[H:89])[C:22]([O:23][P:24](=[O:25])([O:26][H:90])[O:27][P:28](=[O:29])([O:30][H:91])[O:31][C:32]([C@@:33]1([H:92])[O:34][C@:35]([N:36]2:[C:37]([H:93]):[N:38]:[C:39]3:[C:40]([N:41]([H:94])[H:95]):[N:42]:[C:43]([H:96]):[N:44]:[C:45]:2:3)([H:97])[C@@:46]([O:47][H:98])([H:99])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:100])[O:53][H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([O:55][H:107])[H:119])=[O:57])[H:118])([H:116])[H:117])([H:114])[H:115])=[O:62])[H:113])([H:111])[H:112])([H:109])[H:110])([H:82])[H:83])[H:84])([H:85])[H:86]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E279 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[H].[#6:52]-[#6:53](=[#8:54])-[#6:55](-[#8:56])(-[#6:57])-[#6:61]>>[#6:47]-[#16:48]-[#6:53](-[#6:52])=[#8:54].[#6:55](-[#8:56])(-[#6:57])(-[#6:61])-[H]

EVODEX.1-C86 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-N327 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Em435 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Cm114 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-Nm389 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

Source Full Reactions

EVODEX.1-R2546

Full Reaction Rendering

[C:1](=[C:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[C:8]([O:9][H:67])([C:10]([C:11](=[O:12])[O:13][H:68])([H:69])[H:70])[C:14]([N+:15]([C:16]([H:71])([H:72])[H:73])([C:17]([H:74])([H:75])[H:76])[C:18]([H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])([H:85])[H:86].[H][S:66][C:65]([C:64]([N:63]([C:61]([C:60]([C:59]([N:58]([C:56]([C@@:54]([C:20]([C:19]([H:120])([H:121])[H:122])([C:21]([H:87])([H:88])[H:89])[C:22]([O:23][P:24](=[O:25])([O:26][H:90])[O:27][P:28](=[O:29])([O:30][H:91])[O:31][C:32]([C@@:33]1([H:92])[O:34][C@:35]([N:36]2:[C:37]([H:93]):[N:38]:[C:39]3:[C:40]([N:41]([H:94])[H:95]):[N:42]:[C:43]([H:96]):[N:44]:[C:45]:2:3)([H:97])[C@@:46]([O:47][H:98])([H:99])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:100])[O:53][H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([O:55][H:107])[H:119])=[O:57])[H:118])([H:116])[H:117])([H:114])[H:115])=[O:62])[H:113])([H:111])[H:112])([H:109])[H:110]>>[H][C@@:8]([O:9][H:67])([C:10]([C:11](=[O:12])[O:13][H:68])([H:69])[H:70])[C:14]([N+:15]([C:16]([H:71])([H:72])[H:73])([C:17]([H:74])([H:75])[H:76])[C:18]([H:77])([H:78])[H:79])([H:80])[H:81].[C:1](=[C:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[S:66][C:65]([C:64]([N:63]([C:61]([C:60]([C:59]([N:58]([C:56]([C@@:54]([C:20]([C:19]([H:120])([H:121])[H:122])([C:21]([H:87])([H:88])[H:89])[C:22]([O:23][P:24](=[O:25])([O:26][H:90])[O:27][P:28](=[O:29])([O:30][H:91])[O:31][C:32]([C@@:33]1([H:92])[O:34][C@:35]([N:36]2:[C:37]([H:93]):[N:38]:[C:39]3:[C:40]([N:41]([H:94])[H:95]):[N:42]:[C:43]([H:96]):[N:44]:[C:45]:2:3)([H:97])[C@@:46]([O:47][H:98])([H:99])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:100])[O:53][H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([O:55][H:107])[H:119])=[O:57])[H:118])([H:116])[H:117])([H:114])[H:115])=[O:62])[H:113])([H:111])[H:112])([H:109])[H:110])([H:82])[H:83])[H:84])([H:85])[H:86]