EVODEX Logo

EVODEX.1-P5279

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:12]([C:11]([C:10]([C:9]([C:8]([C:6]([O:5][C:4]([H:64])([H:65])[H:66])=[O:7])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])[H:55])N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:12]([C:11]([C:10]([C:9]([C:8]([C:6]([O:5][C:4]([H:64])([H:65])[H:66])=[O:7])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])[H:55]

Derived Operators

EVODEX.1-F491 - Elemental Balance

O-2
C-13
N-4
H-16

EVODEX.1-M466 - Mass Difference

-260.12748

EVODEX.1-E1309 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#7:16](-[#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])-[H:59]>>[#6:15]-[#7:16](-[H:59])-[H]

EVODEX.1-C588 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]

EVODEX.1-N744 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6:12])-[H:56])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6:12])-[H:56]

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-R6039

Full Reaction Rendering

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