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EVODEX.1-P5092

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:54])([H:55])[H:56])[H:64])([H:62])[H:63])([C:7]([N:8]([H:59])[H:60])=[O:9])[H:61])[H:57]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:54])([H:55])[H:56])[H:64])([H:62])[H:63])([C:7]([N:8]([H:59])[H:60])=[O:9])[H:61])[H:57])N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F518 - Elemental Balance

O2
C13
N4
H16

EVODEX.1-M491 - Mass Difference

260.12748

EVODEX.1-E1336 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:34]-[#7:35](-[H:58])-[H]>>[#6](=[#8])(-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])-[H])-[#7:35](-[#6:34])-[H:58]

EVODEX.1-C639 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:31]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:31])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-N794 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:31](-[#6:30])-[H:54]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:31](-[#6:30])-[H:54])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5863

Full Reaction Rendering

[C:10]([C:11]([O:12][C:13](=[O:14])[C@:15]([C:16]([C:17]([C:18]([N:19]([C:20](=[N:21][H:32])[N:22]([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:42]):[C:28]([H:43]):[C:29]([H:44]):[C:30]([H:45]):[C:31]:1[H:46])[H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:54])([H:55])[H:56])[H:64])([H:62])[H:63])([C:7]([N:8]([H:59])[H:60])=[O:9])[H:61])[H:57]>>[H][O:12][C:11]([C:10]([H:51])([H:52])[H:53])([H:49])[H:50].[C:1]([C:2]([C:3]([H:54])([H:55])[H:56])([C:4]([C@:5]([N:6]([C:13](=[O:14])[C@:15]([C:16]([C:17]([C:18]([N:19]([C:20](=[N:21][H:32])[N:22]([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:42]):[C:28]([H:43]):[C:29]([H:44]):[C:30]([H:45]):[C:31]:1[H:46])[H:47])[H:48])[H:57])([C:7]([N:8]([H:59])[H:60])=[O:9])[H:61])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67]