SMIRKS
[N:13]([C:14]1:[N:15]:[C:16]([H:44]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:45]):[N:22]:2[C@:23]1([H:46])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:51])[H:52])([H:53])[C@:40]([O:41][H:54])([H:55])[C@:42]1([O:43][H:56])[H:57])([H:58])[H:59].[N:6]([C@@:7]([C:8]([S:9][H:65])([H:66])[H:67])([C:10](=[O:11])[O:12][H:68])[H:69])([H:70])[H:71]>>[H]OC(=O)C([H])([H])N([H])[C:10]([C@@:7]([N:6]([H:70])[H:71])([C:8]([S:9][H:65])([H:66])[H:67])[H:69])=[O:11].[O:12]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:53])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:44]):[N:15]:[C:14]([N:13]([H:58])[H:59]):[C:19]:3:[N:20]:[C:21]:2[H:45])([H:46])[C@@:42]([O:43][H:56])([H:57])[C@@:40]1([O:41][H:54])[H:55])([H:51])[H:52])(=[O:29])[O:30][H:47])(=[O:33])[O:34][H:48])[H:68].[H][O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1012 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:105].([#8:68]-[#15:69](=[#8:70])(-[#8:71])-[#8:72]-[#15:73].[#8:78]-[#6@@:77](-[#6@@:62])(-[H:128])-[#6@:79](-[#6@:60])(-[#8:80])-[H:130])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].([#8:44](-[#15:69](-[#8:68])(=[#8:70])-[#8:71])-[H:105].[#8:80]-[#6@:79](-[#6@:60])(-[H:130])-[#6@@:77](-[#6@@:62])(-[#8:78])-[H:128]).[#8:72](-[#15:73])-[H]
EVODEX.1-C816 - Reaction Operator C
[#6:7]-[#8:9].([#15:34]-[#8:37].[#6@:42]-[#6@:44])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7].[H]-[#8:37].([#8:9]-[#15:34].[#6@@:44]-[#6@@:42])
EVODEX.1-N1027 - Reaction Operator N
[#6:7](-[#6@:5])(=[#8:8])-[#8:9]-[H:51].([#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]-[#15:38].[#8:43]-[#6@@:42](-[#6@@:27])(-[H:75])-[#6@:44](-[#6@:25])(-[#8:45])-[H:77])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7](-[#6@:5])=[#8:8].[H]-[#8:37]-[#15:38].([#8:9](-[#15:34](-[#8:33])(=[#8:35])-[#8:36])-[H:51].[#8:45]-[#6@:44](-[#6@:25])(-[H:77])-[#6@@:42](-[#6@@:27])(-[#8:43])-[H:75])
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7833
[N:13]([C:14]1:[N:15]:[C:16]([H:44]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:45]):[N:22]:2[C@:23]1([H:46])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:51])[H:52])([H:53])[C@:40]([O:41][H:54])([H:55])[C@:42]1([O:43][H:56])[H:57])([H:58])[H:59].[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:60])([H:61])[H:62])[H:63].[N:6]([C@@:7]([C:8]([S:9][H:65])([H:66])[H:67])([C:10](=[O:11])[O:12][H:68])[H:69])([H:70])[H:71]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:60])([H:61])[H:62])([C:10]([C@@:7]([N:6]([H:70])[H:71])([C:8]([S:9][H:65])([H:66])[H:67])[H:69])=[O:11])[H:63].[O:12]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:53])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:44]):[N:15]:[C:14]([N:13]([H:58])[H:59]):[C:19]:3:[N:20]:[C:21]:2[H:45])([H:46])[C@@:42]([O:43][H:56])([H:57])[C@@:40]1([O:41][H:54])[H:55])([H:51])[H:52])(=[O:29])[O:30][H:47])(=[O:33])[O:34][H:48])[H:68].[H][O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50]