EVODEX.1-P3789

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([C:1]([H:96])([H:97])[H:98])([C:3](=[O:4])[S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:59])([C:18]([C:19]([H:60])([H:61])[H:62])([C:20]([H:63])([H:64])[H:65])[C:21]([O:22][P:23](=[O:24])([O:25][H:66])[O:26][P:27](=[O:28])([O:29][H:67])[O:30][C:31]([C@@:32]1([H:68])[O:33][C@:34]([N:35]2:[C:36]([H:69]):[N:37]:[C:38]3:[C:39]([N:40]([H:70])[H:71]):[N:41]:[C:42]([H:72]):[N:43]:[C:44]:2:3)([H:73])[C@@:45]([O:46][H:74])([H:75])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:76])[O:52][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].[C:53]([C@@:54]([O:55][H:99])([C:56](=[O:57])[O:58][H:100])[H:101])([H:102])([H:103])[H:104]>>[C:1]([C@:2]([C:3](=[O:4])[S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:59])([C:18]([C:19]([H:60])([H:61])[H:62])([C:20]([H:63])([H:64])[H:65])[C:21]([O:22][P:23](=[O:24])([O:25][H:66])[O:26][P:27](=[O:28])([O:29][H:67])[O:30][C:31]([C@@:32]1([H:68])[O:33][C@:34]([N:35]2:[C:36]([H:69]):[N:37]:[C:38]3:[C:39]([N:40]([H:70])[H:71]):[N:41]:[C:42]([H:72]):[N:43]:[C:44]:2:3)([H:73])[C@@:45]([O:46][H:74])([H:75])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:76])[O:52][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])([O:55][H:99])[H:94])([H:96])([H:97])[H:98].[H][C:54]([C:53]([H:102])([H:103])[H:104])([C:56](=[O:57])[O:58][H:100])[H:101]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E240 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#6:6])(-[H:103])-[H].[#6:59]-[#6@@:60](-[#8:61]-[H:114])(-[#6:62])-[H:116]>>[#6:4]-[#6@:5](-[#6:6])(-[#8:61]-[H:114])-[H:103].[#6:59]-[#6:60](-[#6:62])(-[H:116])-[H]

EVODEX.1-C1000 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[#8:61]-[#6@@:60]>>[#8:61]-[#6@:5].[H]-[#6:60]

EVODEX.1-N1239 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])(-[#6:6])-[H:103].[#6:59]-[#6@@:60](-[#8:61]-[H:114])(-[#6:62])-[H:116]>>[#6:4]-[#6@:5](-[#6:6])(-[#8:61]-[H:114])-[H:103].[H]-[#6:60](-[#6:59])(-[#6:62])-[H:116]

EVODEX.1-Em546 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6].[#6:59]-[#6:60](-[#8:61])-[#6:62]>>[#6:4]-[#6:5](-[#6:6])-[#8:61].[H]-[#6:60](-[#6:59])-[#6:62]

EVODEX.1-Cm250 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[#6:60]-[#8:61]>>[#6:5]-[#8:61].[H]-[#6:60]

EVODEX.1-Nm493 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6].[#6:59]-[#6:60](-[#8:61])-[#6:62]>>[#6:4]-[#6:5](-[#6:6])-[#8:61].[H]-[#6:60](-[#6:59])-[#6:62]

Source Full Reactions

EVODEX.1-R4645

Full Reaction Rendering

[H][C:2]([C:1]([H:96])([H:97])[H:98])([C:3](=[O:4])[S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:59])([C:18]([C:19]([H:60])([H:61])[H:62])([C:20]([H:63])([H:64])[H:65])[C:21]([O:22][P:23](=[O:24])([O:25][H:66])[O:26][P:27](=[O:28])([O:29][H:67])[O:30][C:31]([C@@:32]1([H:68])[O:33][C@:34]([N:35]2:[C:36]([H:69]):[N:37]:[C:38]3:[C:39]([N:40]([H:70])[H:71]):[N:41]:[C:42]([H:72]):[N:43]:[C:44]:2:3)([H:73])[C@@:45]([O:46][H:74])([H:75])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:76])[O:52][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].[C:53]([C@@:54]([O:55][H:99])([C:56](=[O:57])[O:58][H:100])[H:101])([H:102])([H:103])[H:104]>>[C:1]([C@:2]([C:3](=[O:4])[S:5][C:6]([C:7]([N:8]([C:9](=[O:10])[C:11]([C:12]([N:13]([C:14](=[O:15])[C@:16]([O:17][H:59])([C:18]([C:19]([H:60])([H:61])[H:62])([C:20]([H:63])([H:64])[H:65])[C:21]([O:22][P:23](=[O:24])([O:25][H:66])[O:26][P:27](=[O:28])([O:29][H:67])[O:30][C:31]([C@@:32]1([H:68])[O:33][C@:34]([N:35]2:[C:36]([H:69]):[N:37]:[C:38]3:[C:39]([N:40]([H:70])[H:71]):[N:41]:[C:42]([H:72]):[N:43]:[C:44]:2:3)([H:73])[C@@:45]([O:46][H:74])([H:75])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:76])[O:52][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])([O:55][H:99])[H:94])([H:96])([H:97])[H:98].[H][C:54]([C:53]([H:102])([H:103])[H:104])([C:56](=[O:57])[O:58][H:100])[H:101]