EVODEX Logo

EVODEX.1-P4944

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:32]([C:33]([C:34](=[O:35])[O:36][H:56])([H:57])[H:58])[H:59])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:32]([C:33]([C:34](=[O:35])[O:36][H:56])([H:57])[H:58])[H:59]

Derived Operators

EVODEX.1-F504 - Elemental Balance

O-3
C-22
N-6
H-26

EVODEX.1-M477 - Mass Difference

-422.20688

EVODEX.1-E1322 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7:32](-[#6@@:33])-[H:107])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]>>[#7:32](-[#6@@:33])(-[H:107])-[H]

EVODEX.1-C623 - 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])-[#7:21])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:21]

EVODEX.1-N778 - 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])-[#7:21](-[#6@:18])-[H:107])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:21](-[#6@:18])-[H:107]

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-R5731

Full Reaction Rendering

[N:1](=[C:2]([N:3]([H:38])[H:39])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]([C:13]([C:14]1:[C:15]([H:40]):[C:16]([H:41]):[C:17]([H:42]):[C:18]([H:43]):[C:19]:1[H:44])([H:45])[H:46])([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]([H:50]):[C:28]:1[N:29]([H:51])[H:52])[H:53])[H:54])[H:55])([C:30](=[O:31])[N:32]([C:33]([C:34](=[O:35])[O:36][H:56])([H:57])[H:58])[H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[H:68].[H][O:37][H:69]>>[H][N:32]([C:33]([C:34](=[O:35])[O:36][H:56])([H:57])[H:58])[H:59].[N:1](=[C:2]([N:3]([H:38])[H:39])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]([C:13]([C:14]1:[C:15]([H:40]):[C:16]([H:41]):[C:17]([H:42]):[C:18]([H:43]):[C:19]:1[H:44])([H:45])[H:46])([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]([H:50]):[C:28]:1[N:29]([H:51])[H:52])[H:53])[H:54])[H:55])([C:30](=[O:31])[O:37][H:69])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[H:68]