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EVODEX.1-P1349

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C(=O)[N:11]([C:10]([C:9]([C:8]([C@@:6]([C:4]([N:3]([C@@:2]([C:1]([H:64])([H:65])[H:66])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([C:20]([C:21]([C:22]([N:23]([C:24](=[N:25][H:48])[N:26]([H:49])[H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:27](=[O:28])[O:29][H:60])[H:61])[H:62])[H:63])[H:47])=[O:5])([N:7]([H:35])[H:36])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])[H:39]>>[H][N:11]([C:10]([C:9]([C:8]([C@@:6]([C:4]([N:3]([C@@:2]([C:1]([H:64])([H:65])[H:66])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([C:20]([C:21]([C:22]([N:23]([C:24](=[N:25][H:48])[N:26]([H:49])[H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:27](=[O:28])[O:29][H:60])[H:61])[H:62])[H:63])[H:47])=[O:5])([N:7]([H:35])[H:36])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])[H:39]

Derived Operators

EVODEX.1-F304 - Elemental Balance

O-1
C-1
N-1
H-1

EVODEX.1-M553 - Mass Difference

-43.00583

EVODEX.1-E1074 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6](=[#8])-[#7:4](-[#6:5])-[H:16])(-[H])-[H]>>[#7:4](-[#6:5])(-[H:16])-[H]

EVODEX.1-C109 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6](=[#8])-[#7:4]>>[H]-[#7:4]

EVODEX.1-N288 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](=[#8])-[#7:4](-[#6:5])-[H:11]>>[H]-[#7:4](-[#6:5])-[H:11]

EVODEX.1-Em413 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7]-[#6](=[#8])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm373 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7]-[#6](=[#8])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5]

Source Full Reactions

EVODEX.1-R1868

Full Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:35])[H:36])([C:8]([C:9]([C:10]([N:11]([C:12]([N:13]([H:37])[H:38])=[O:14])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[H:46])[H:47])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([C:20]([C:21]([C:22]([N:23]([C:24](=[N:25][H:48])[N:26]([H:49])[H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:27](=[O:28])[O:29][H:60])[H:61])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:32][P:31](=[O:30])([O:33][H:68])[O:34][H:69]>>[C:12]([N:13]([H:37])[H:38])(=[O:14])[O:32][P:31](=[O:30])([O:33][H:68])[O:34][H:69].[H][N:11]([C:10]([C:9]([C:8]([C@@:6]([C:4]([N:3]([C@@:2]([C:1]([H:64])([H:65])[H:66])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([C:20]([C:21]([C:22]([N:23]([C:24](=[N:25][H:48])[N:26]([H:49])[H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:27](=[O:28])[O:29][H:60])[H:61])[H:62])[H:63])[H:47])=[O:5])([N:7]([H:35])[H:36])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])[H:39]