EVODEX.1-P5015

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E275 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6@:5](-[#7:6](-[H:42])-[H])(-[#6:7])-[H:47].[#6:16]-[#8:17]-[#6:18](=[#8:19])-[#6@:20]>>[#6:4]-[#6:5](-[#7:6](-[#6:18](=[#8:19])-[#6@:20])-[H:42])(-[#6:7])-[H:47].[#6:16]-[#8:17]-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N85 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:43]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12](-[#6@@:13])-[H:43].[H]-[#8:2]-[#6:1]

EVODEX.1-Em118 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm152 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5796

Full Reaction Rendering

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