EVODEX.1-P5984

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:20][P:18]([O:17][P:14]([O:13][P:10]([O:9][C:8]([C@@:7]1([H:70])[O:6][C@:5]([N:4]2[C:3]([H:51])([H:52])[N:2]([C:1]([H:78])([H:79])[H:80])[C:49]3:[C:42]2:[N:43]([H:75]):[C:44](=[N:45][H:76]):[N:46]([H:77]):[C:47]:3=[O:48])([H:53])[C:40]([O:41][H:73])([H:74])[C@:38]1([O:39][H:71])[H:72])([H:68])[H:69])(=[O:11])[O:12][H:54])(=[O:15])[O:16][H:55])(=[O:19])[O:21][C:22]([C@:23]1([H:57])[O:24][C@@:25]([N:26]2:[C:27]([H:58]):[C:28]([H:59]):[C:29](=[O:30]):[N:31]([H:60]):[C:32]:2=[O:33])([H:61])[C:34]([O:35][H:62])([H:63])[C@@:36]1([O:37][H:64])[H:65])([H:66])[H:67].[H][O:50][H:81]>>[H][O:13][P:10]([O:9][C:8]([C@@:7]1([H:70])[O:6][C@:5]([N:4]2[C:3]([H:51])([H:52])[N:2]([C:1]([H:78])([H:79])[H:80])[C:49]3:[C:42]2:[N:43]([H:75]):[C:44](=[N:45][H:76]):[N:46]([H:77]):[C:47]:3=[O:48])([H:53])[C:40]([O:41][H:73])([H:74])[C@:38]1([O:39][H:71])[H:72])([H:68])[H:69])(=[O:11])[O:12][H:54].[H][O:17][P:18](=[O:19])([O:20][P:14](=[O:15])([O:16][H:55])[O:50][H:81])[O:21][C:22]([C@:23]1([H:57])[O:24][C@@:25]([N:26]2:[C:27]([H:58]):[C:28]([H:59]):[C:29](=[O:30]):[N:31]([H:60]):[C:32]:2=[O:33])([H:61])[C:34]([O:35][H:62])([H:63])[C@@:36]1([O:37][H:64])[H:65])([H:66])[H:67]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E282 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]-[#15:24]-[#8:26]-[H].[#8:32](-[H:49])-[H]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:26]-[#15:24]-[#8:23]-[H])-[#8:32]-[H:49]

EVODEX.1-C718 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])

EVODEX.1-N885 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]-[H:49]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]-[H:49]

EVODEX.1-Em696 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]

EVODEX.1-Cm282 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])

EVODEX.1-Nm625 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]

Source Full Reactions

EVODEX.1-R6627

Full Reaction Rendering

[H][O:20][P:18]([O:17][P:14]([O:13][P:10]([O:9][C:8]([C@@:7]1([H:70])[O:6][C@:5]([N:4]2[C:3]([H:51])([H:52])[N:2]([C:1]([H:78])([H:79])[H:80])[C:49]3:[C:42]2:[N:43]([H:75]):[C:44](=[N:45][H:76]):[N:46]([H:77]):[C:47]:3=[O:48])([H:53])[C:40]([O:41][H:73])([H:74])[C@:38]1([O:39][H:71])[H:72])([H:68])[H:69])(=[O:11])[O:12][H:54])(=[O:15])[O:16][H:55])(=[O:19])[O:21][C:22]([C@:23]1([H:57])[O:24][C@@:25]([N:26]2:[C:27]([H:58]):[C:28]([H:59]):[C:29](=[O:30]):[N:31]([H:60]):[C:32]:2=[O:33])([H:61])[C:34]([O:35][H:62])([H:63])[C@@:36]1([O:37][H:64])[H:65])([H:66])[H:67].[H][O:50][H:81]>>[H][O:13][P:10]([O:9][C:8]([C@@:7]1([H:70])[O:6][C@:5]([N:4]2[C:3]([H:51])([H:52])[N:2]([C:1]([H:78])([H:79])[H:80])[C:49]3:[C:42]2:[N:43]([H:75]):[C:44](=[N:45][H:76]):[N:46]([H:77]):[C:47]:3=[O:48])([H:53])[C:40]([O:41][H:73])([H:74])[C@:38]1([O:39][H:71])[H:72])([H:68])[H:69])(=[O:11])[O:12][H:54].[H][O:17][P:18](=[O:19])([O:20][P:14](=[O:15])([O:16][H:55])[O:50][H:81])[O:21][C:22]([C@:23]1([H:57])[O:24][C@@:25]([N:26]2:[C:27]([H:58]):[C:28]([H:59]):[C:29](=[O:30]):[N:31]([H:60]):[C:32]:2=[O:33])([H:61])[C:34]([O:35][H:62])([H:63])[C@@:36]1([O:37][H:64])[H:65])([H:66])[H:67]