EVODEX.1-P3599

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:60]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:61]):[N:10]:2[C@@:11]1([H:62])[C:12]([H:63])([H:64])[C@@:13]([O:14][H:65])([H:66])[C@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:67])[O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][H:70])([H:71])[H:72])([H:73])[O:30]1)([H:74])[H:75].[H][O:54][C@:53]1([H:87])[C@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:79])[O:44][P:45](=[O:46])([O:47][H:80])[O:48][P:49](=[O:50])([O:51][H:81])[O:52][H:82])([H:83])[H:84])([H:85])[O:37][C@:36]([N:35]2:[C:34]([H:77]):[C:33]([H:76]):[C:32](=[O:31]):[N:59]([H:90]):[C:57]:2=[O:58])([H:78])[C@@:55]1([O:56][H:88])[H:89]>>[H][O:21][P:18]([O:17][C:16]([C@:15]1([H:73])[C@:13]([O:14][H:65])([H:66])[C:12]([H:63])([H:64])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:60]):[N:3]:[C:2]([N:1]([H:74])[H:75]):[C:7]:3:[N:8]:[C:9]:2[H:61])([H:62])[O:30]1)([H:71])[H:72])(=[O:19])[O:20][H:67].[P:22](=[O:23])([O:24][H:68])([O:25][P:26](=[O:27])([O:28][H:69])[O:29][H:70])[O:54][C@:53]1([H:87])[C@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:79])[O:44][P:45](=[O:46])([O:47][H:80])[O:48][P:49](=[O:50])([O:51][H:81])[O:52][H:82])([H:83])[H:84])([H:85])[O:37][C@:36]([N:35]2:[C:34]([H:77]):[C:33]([H:76]):[C:32](=[O:31]):[N:59]([H:90]):[C:57]:2=[O:58])([H:78])[C@@:55]1([O:56][H:88])[H:89]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C887 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:21]-[#15:22].[#6@@:13]).[H]-[#8:54]>>([H]-[#8:21].[#6@:13]).[#15:22]-[#8:54]

EVODEX.1-N1691 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:12]-[#6@@:13](-[#8:14])(-[H:66])-[#6@:15].[#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25]).[H]-[#8:54]-[#6@:53]>>([H]-[#8:21]-[#15:18].[#8:14]-[#6@@:13](-[#6@:15])(-[H:66])-[#6:12]).[#15:22](=[#8:23])(-[#8:24])(-[#8:25])-[#8:54]-[#6@:53]

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-R4342

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:60]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:61]):[N:10]:2[C@@:11]1([H:62])[C:12]([H:63])([H:64])[C@@:13]([O:14][H:65])([H:66])[C@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:67])[O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][H:70])([H:71])[H:72])([H:73])[O:30]1)([H:74])[H:75].[H][O:54][C@:53]1([H:87])[C@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:79])[O:44][P:45](=[O:46])([O:47][H:80])[O:48][P:49](=[O:50])([O:51][H:81])[O:52][H:82])([H:83])[H:84])([H:85])[O:37][C@:36]([N:35]2:[C:34]([H:77]):[C:33]([H:76]):[C:32](=[O:31]):[N:59]([H:90]):[C:57]:2=[O:58])([H:78])[C@@:55]1([O:56][H:88])[H:89]>>[H][O:21][P:18]([O:17][C:16]([C@:15]1([H:73])[C@:13]([O:14][H:65])([H:66])[C:12]([H:63])([H:64])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:60]):[N:3]:[C:2]([N:1]([H:74])[H:75]):[C:7]:3:[N:8]:[C:9]:2[H:61])([H:62])[O:30]1)([H:71])[H:72])(=[O:19])[O:20][H:67].[P:22](=[O:23])([O:24][H:68])([O:25][P:26](=[O:27])([O:28][H:69])[O:29][H:70])[O:54][C@:53]1([H:87])[C@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:79])[O:44][P:45](=[O:46])([O:47][H:80])[O:48][P:49](=[O:50])([O:51][H:81])[O:52][H:82])([H:83])[H:84])([H:85])[O:37][C@:36]([N:35]2:[C:34]([H:77]):[C:33]([H:76]):[C:32](=[O:31]):[N:59]([H:90]):[C:57]:2=[O:58])([H:78])[C@@:55]1([O:56][H:88])[H:89]