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EVODEX.1-P5174

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F262 - Elemental Balance

O-1
C-2
N-1
H-3

EVODEX.1-M86 - Mass Difference

-57.02149000000001

EVODEX.1-E992 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6](-[#6](=[#8])-[#7:5](-[#6@:6])-[H:78])(-[H])-[H])(-[H])-[H]>>[#7:5](-[#6@:6])(-[H:78])-[H]

EVODEX.1-C133 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22]>>[H]-[#7:22]

EVODEX.1-N705 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22](-[#6:21])-[H:47]>>[H]-[#7:22](-[#6:21])-[H:47]

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-R5937

Full Reaction Rendering

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