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EVODEX.1-P4717

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:19]([C:18]([C:17]([C:15]([N:14]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:6]([C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([O:11][H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])[H:39])[H:47])[H:46])=[O:16])([H:44])[H:45])([H:42])[H:43])[H:40]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:19]([C:18]([C:17]([C:15]([N:14]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:6]([C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([O:11][H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])[H:39])[H:47])[H:46])=[O:16])([H:44])[H:45])([H:42])[H:43])[H:40]

Derived Operators

EVODEX.1-F223 - Elemental Balance

O1
C3
N1
H5

EVODEX.1-M74 - Mass Difference

71.03715000000001

EVODEX.1-E937 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5](-[#6@:4])(-[H:49])-[H]>>[#7:5](-[#6@:4])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:49]

EVODEX.1-C582 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N738 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@@:5])-[H:47]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:47]

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-R5535

Full Reaction Rendering

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