EVODEX.1-P3379

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C:22]([C@:20]([C@:18]([C@:16]([C:15]([N:14]1:[C:13]2:[N:12]:[C:10](=[O:11]):[N:9]([H:45]):[C:7](=[O:8]):[C:6]2:[N:5]:[C:4]2:[C:3]([H:44]):[C:2]([C:1]([H:61])([H:62])[H:63]):[C:26]([C:27]([H:58])([H:59])[H:60]):[C:25]([H:57]):[C:24]:2:1)([H:55])[H:56])([O:17][H:46])[H:54])([O:19][H:47])[H:53])([O:21][H:48])[H:52])([H:50])[H:51].[O:28]=[P:29]([O:30][H:64])([O:31][H:65])[O:32][C@@:33]1([H:66])[O:34][C@@:35]([C:36]([O:37][H:67])([H:68])[H:69])([H:70])[C@:38]([O:39][H:71])([H:72])[C@@:40]([O:41][H:73])([H:74])[C@:42]1([O:43][H:75])[H:76]>>[C:1]([C:2]1:[C:3]([H:44]):[C:4]2:[N:5]:[C:6]3:[C:7](=[O:8]):[N:9]([H:45]):[C:10](=[O:11]):[N:12]:[C:13]3:[N:14]([C:15]([C@:16]([O:17][H:46])([C@:18]([O:19][H:47])([C@:20]([O:21][H:48])([C:22]([O:23][P:29](=[O:28])([O:30][H:64])[O:31][H:65])([H:50])[H:51])[H:52])[H:53])[H:54])([H:55])[H:56]):[C:24]:2:[C:25]([H:57]):[C:26]:1[C:27]([H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][O:32][C@@:33]1([H:66])[O:34][C@@:35]([C:36]([O:37][H:67])([H:68])[H:69])([H:70])[C@:38]([O:39][H:71])([H:72])[C@@:40]([O:41][H:73])([H:74])[C@:42]1([O:43][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-R4043

Full Reaction Rendering

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