EVODEX.1-P3382

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:25][C:24]([C@:22]([C@:20]([C@:18]([C:17]([N:16]1:[C:5]2:[C:4]([H:45]):[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:6]:2:[N:7]:[C:8]2:[C:9](=[O:10]):[N:11]([H:46]):[C:12](=[O:13]):[N:14]:[C:15]:12)([H:56])[H:57])([O:19][H:47])[H:55])([O:21][H:48])[H:54])([O:23][H:49])[H:53])([H:51])[H:52].[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]([H:45]):[C:5]2:[C:6](:[N:7]:[C:8]3:[C:9](=[O:10]):[N:11]([H:46]):[C:12](=[O:13]):[N:14]:[C:15]3:[N:16]:2[C:17]([C@:18]([O:19][H:47])([C@:20]([O:21][H:48])([C@:22]([O:23][H:49])([C:24]([O:25][P:29](=[O:28])([O:30][H:64])[O:31][H:65])([H:51])[H:52])[H:53])[H:54])[H:55])([H:56])[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-E297 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#8:8]-[H].[#8:14]=[#15:15](-[#8:16])(-[#8:17])-[#8:18]-[#6@@:19](-[H:46])(-[#8:20])-[#6@:28]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17].[#8:18](-[#6:19](-[H:46])(-[#8:20])-[#6@:28])-[H]

EVODEX.1-C882 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17]-[#6@@:18].[H]-[#8:12]>>[#8:12]-[#15:14].[H]-[#8:17]-[#6:18]

EVODEX.1-N1105 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6@@:18](-[H:31])(-[#8:19])-[#6@:27].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18](-[H:31])(-[#8:19])-[#6@:27]

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-R4045

Full Reaction Rendering

[H][O:25][C:24]([C@:22]([C@:20]([C@:18]([C:17]([N:16]1:[C:5]2:[C:4]([H:45]):[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:6]:2:[N:7]:[C:8]2:[C:9](=[O:10]):[N:11]([H:46]):[C:12](=[O:13]):[N:14]:[C:15]:12)([H:56])[H:57])([O:19][H:47])[H:55])([O:21][H:48])[H:54])([O:23][H:49])[H:53])([H:51])[H:52].[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]([H:45]):[C:5]2:[C:6](:[N:7]:[C:8]3:[C:9](=[O:10]):[N:11]([H:46]):[C:12](=[O:13]):[N:14]:[C:15]3:[N:16]:2[C:17]([C@:18]([O:19][H:47])([C@:20]([O:21][H:48])([C@:22]([O:23][H:49])([C:24]([O:25][P:29](=[O:28])([O:30][H:64])[O:31][H:65])([H:51])[H:52])[H:53])[H:54])[H:55])([H:56])[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]