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EVODEX.1-P3248

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[N:5]([C@:6]2([H:48])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:49])[O:14][P:15](=[O:16])([O:17][H:50])[O:18][P:19](=[O:20])([O:21][H:51])[O:22][H:52])([H:53])[H:54])([H:55])[C@:23]([O:24][H:56])([H:57])[C@:25]2([O:26][H:58])[H:59]):[C:27](=[O:28]):[N:29]:1)([H:60])[H:61]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:55])[O:7][C@:6]([N:5]2:[C:4]([H:47]):[C:3]([H:46]):[C:2]([N:1]([H:60])[H:61]):[N:29]:[C:27]:2=[O:28])([H:48])[C@@:25]([O:26][H:58])([H:59])[C@@:23]1([O:24][H:56])[H:57])([H:53])[H:54])(=[O:12])[O:13][H:49])(=[O:16])[O:17][H:50].[H]O[C@@]([H])([C@]([H])(O[H])C(=O)C([H])([H])O[P:19](=[O:20])([O:21][H:51])[O:22][H:52])[C@]([H])(O[H])C([H])([H])OP(=O)(O[H])O[H]

Derived Operators

EVODEX.1-F399 - Elemental Balance

P1
O9
C6
H13

EVODEX.1-M157 - Mass Difference

260.02969

EVODEX.1-E1205 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#8]=[#6](-[#6](-[#8]-[#15:18](=[#8:17])(-[#8:19])-[#8:20])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6@](-[#8]-[H])(-[#6@](-[#8]-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])-[H])-[H].[#8:21](-[#15:22])-[H]

EVODEX.1-C971 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:14]-[#15:15].[#6@:19]-[#6@:21])>>([H]-[#8:14].[#6@@:21]-[#6@@:19]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:15])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]

EVODEX.1-N1213 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:20]-[#6@@:19](-[#6@@:8])(-[H:52])-[#6@:21](-[#6@:6])(-[#8:22])-[H:54])>>([H]-[#8:14]-[#15:11].[#8:22]-[#6@:21](-[#6@:6])(-[H:54])-[#6@@:19](-[#6@@:8])(-[#8:20])-[H:52]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]

EVODEX.1-Em9 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm10 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

Source Full Reactions

EVODEX.1-R3886

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[N:5]([C@:6]2([H:48])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:49])[O:14][P:15](=[O:16])([O:17][H:50])[O:18][P:19](=[O:20])([O:21][H:51])[O:22][H:52])([H:53])[H:54])([H:55])[C@:23]([O:24][H:56])([H:57])[C@:25]2([O:26][H:58])[H:59]):[C:27](=[O:28]):[N:29]:1)([H:60])[H:61].[H][O:33][C:32]([C:31](=[O:30])[C@@:34]([O:35][H:65])([C@:36]([O:37][H:66])([C@:38]([O:39][H:67])([C:40]([O:41][P:42](=[O:43])([O:44][H:68])[O:45][H:69])([H:70])[H:71])[H:72])[H:73])[H:74])([H:63])[H:64]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:55])[O:7][C@:6]([N:5]2:[C:4]([H:47]):[C:3]([H:46]):[C:2]([N:1]([H:60])[H:61]):[N:29]:[C:27]:2=[O:28])([H:48])[C@@:25]([O:26][H:58])([H:59])[C@@:23]1([O:24][H:56])[H:57])([H:53])[H:54])(=[O:12])[O:13][H:49])(=[O:16])[O:17][H:50].[P:19](=[O:20])([O:21][H:51])([O:22][H:52])[O:33][C:32]([C:31](=[O:30])[C@@:34]([O:35][H:65])([C@:36]([O:37][H:66])([C@:38]([O:39][H:67])([C:40]([O:41][P:42](=[O:43])([O:44][H:68])[O:45][H:69])([H:70])[H:71])[H:72])[H:73])[H:74])([H:63])[H:64]

EVODEX.1-R4078

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[N:5]([C@:6]2([H:48])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:49])[O:14][P:15](=[O:16])([O:17][H:50])[O:18][P:19](=[O:20])([O:21][H:51])[O:22][H:52])([H:53])[H:54])([H:55])[C@:23]([O:24][H:56])([H:57])[C@:25]2([O:26][H:58])[H:59]):[C:27](=[O:28]):[N:29]:1)([H:60])[H:61].[H][O:45][C:44]([C@:42]([C@:40]([C@@:38]([C:31](=[O:30])[C:32]([O:33][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:64])[H:65])([O:39][H:66])[H:74])([O:41][H:67])[H:73])([O:43][H:68])[H:72])([H:70])[H:71]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:55])[O:7][C@:6]([N:5]2:[C:4]([H:47]):[C:3]([H:46]):[C:2]([N:1]([H:60])[H:61]):[N:29]:[C:27]:2=[O:28])([H:48])[C@@:25]([O:26][H:58])([H:59])[C@@:23]1([O:24][H:56])[H:57])([H:53])[H:54])(=[O:12])[O:13][H:49])(=[O:16])[O:17][H:50].[P:19](=[O:20])([O:21][H:51])([O:22][H:52])[O:45][C:44]([C@:42]([C@:40]([C@@:38]([C:31](=[O:30])[C:32]([O:33][P:34](=[O:35])([O:36][H:62])[O:37][H:63])([H:64])[H:65])([O:39][H:66])[H:74])([O:41][H:67])[H:73])([O:43][H:68])[H:72])([H:70])[H:71]