EVODEX.1-P3380

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R4044

Full Reaction Rendering

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