EVODEX Logo

EVODEX.1-P3501

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:9]([C:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:70])[N:3]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]>>[H]OP(=O)(O[H])[N:9]([C:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:70])[N:3]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1024 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:10]-[#7:12](-[H:46])-[H]>>[#6:10]-[#7:12](-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H:46]

EVODEX.1-C475 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:9]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#7:9]

EVODEX.1-N579 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:9](-[#6@@:8])-[H:62]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#7:9](-[#6@@:8])-[H:62]

EVODEX.1-Em560 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:9]-[#6:8]>>[#8]-[#15](=[#8])(-[#8])-[#7:9]-[#6:8]

EVODEX.1-Cm253 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:9]>>[#15]-[#7:9]

EVODEX.1-Nm506 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:9]-[#6:8]>>[#8]-[#15](=[#8])(-[#8])-[#7:9]-[#6:8]

Source Full Reactions

EVODEX.1-R4195

Full Reaction Rendering

[N:10]([C:11]1:[N:12]:[C:13]([H:41]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:42]):[N:19]:2[C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:44])[O:28][P:29](=[O:30])([O:31][H:45])[O:32][P:33](=[O:34])([O:35][H:46])[O:36][H:47])([H:48])[H:49])([H:50])[C@:37]([O:38][H:51])([H:52])[C@:39]1([O:40][H:53])[H:54])([H:55])[H:56].[H][N:9]([C:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:70])[N:3]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]>>[H][O:32][P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:50])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:41]):[N:12]:[C:11]([N:10]([H:55])[H:56]):[C:16]:3:[N:17]:[C:18]:2[H:42])([H:43])[C@@:39]([O:40][H:53])([H:54])[C@@:37]1([O:38][H:51])[H:52])([H:48])[H:49])(=[O:26])[O:27][H:44])(=[O:30])[O:31][H:45].[N:1](=[C:2]([N:3]([H:57])[H:58])[N:4]([C:5]([C:6]([C:7]([C:8]([N:9]([P:33](=[O:34])([O:35][H:46])[O:36][H:47])[H:59])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])[H:69])[H:70]