EVODEX.1-P3654

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:34][C@@:33]1([C:31](=[O:30])[O:32][H:62])[C:35]([H:64])([H:65])[C@:36]([O:37][H:66])([H:67])[C@:38]([F:39])([H:68])[C@:40]([C@:41]([O:42][H:69])([C:43]([O:44][H:70])([H:71])[H:72])[H:73])([H:74])[O:45]1>>[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:34][C@@:33]3([C:31](=[O:30])[O:32][H:62])[C:35]([H:64])([H:65])[C@:36]([O:37][H:66])([H:67])[C@:38]([F:39])([H:68])[C@:40]([C@:41]([O:42][H:69])([C:43]([O:44][H:70])([H:71])[H:72])[H:73])([H:74])[O:45]3)([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:14][P:15](=[O:16])([O:17][H:50])[O:18][P:19](=[O:20])([O:21][H:51])[O:22][H:52]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E311 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:14]-[#15:15].[#6:31]-[#6@:33](-[#8:34]-[H])(-[#6:35])-[#8:47]>>[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:34]-[#6@@:33](-[#6:31])(-[#6:35])-[#8:47].[#8:14](-[#15:15])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N586 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:14]-[#15:15].[H]-[#8:34]-[#6@:33]>>[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:34]-[#6@:33].[H]-[#8:14]-[#15:15]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R4430

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:34][C@@:33]1([C:31](=[O:30])[O:32][H:62])[C:35]([H:64])([H:65])[C@:36]([O:37][H:66])([H:67])[C@:38]([F:39])([H:68])[C@:40]([C@:41]([O:42][H:69])([C:43]([O:44][H:70])([H:71])[H:72])[H:73])([H:74])[O:45]1>>[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:34][C@@:33]3([C:31](=[O:30])[O:32][H:62])[C:35]([H:64])([H:65])[C@:36]([O:37][H:66])([H:67])[C@:38]([F:39])([H:68])[C@:40]([C@:41]([O:42][H:69])([C:43]([O:44][H:70])([H:71])[H:72])[H:73])([H:74])[O:45]3)([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:14][P:15](=[O:16])([O:17][H:50])[O:18][P:19](=[O:20])([O:21][H:51])[O:22][H:52]