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EVODEX.1-P4841

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C(=O)N([H])C([H])([H])C(=O)[N:15]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:32])([H:33])[H:34])[H:60])([H:58])[H:59])([C:28](=[O:29])[O:30][H:56])[H:57])[H:55])=[O:8])([C:10]([C:11]([C:12]([C:13]([N:14]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:54])[H:53]):C([H]):C:1[H]>>[H][N:15]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:32])([H:33])[H:34])[H:60])([H:58])[H:59])([C:28](=[O:29])[O:30][H:56])[H:57])[H:55])=[O:8])([C:10]([C:11]([C:12]([C:13]([N:14]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:54])[H:53]

Derived Operators

EVODEX.1-F244 - Elemental Balance

C-9
O-2
N-1
H-7

EVODEX.1-M301 - Mass Difference

-161.04771

EVODEX.1-E968 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:3](-[#6@:2])(-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])(-[H])-[H])-[H:37]>>[#7:3](-[#6@:2])(-[H:37])-[H]

EVODEX.1-C605 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:8]

EVODEX.1-N762 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8](-[#6@@:7])-[H:33]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:8](-[#6@@:7])-[H:33]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5638

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([N:15]([C:16](=[O:17])[C:18]([N:19]([C:20](=[O:21])[C:22]1:[C:23]([H:45]):[C:24]([H:46]):[C:25]([H:47]):[C:26]([H:48]):[C:27]:1[H:49])[H:50])([H:51])[H:52])[H:53])[H:54])[H:55])([C:28](=[O:29])[O:30][H:56])[H:57])([H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[H][O:31][H:64]>>[C:16](=[O:17])([C:18]([N:19]([C:20](=[O:21])[C:22]1:[C:23]([H:45]):[C:24]([H:46]):[C:25]([H:47]):[C:26]([H:48]):[C:27]:1[H:49])[H:50])([H:51])[H:52])[O:31][H:64].[H][N:15]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:32])([H:33])[H:34])[H:60])([H:58])[H:59])([C:28](=[O:29])[O:30][H:56])[H:57])[H:55])=[O:8])([C:10]([C:11]([C:12]([C:13]([N:14]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:54])[H:53]