SMIRKS
[N:17]([C:18]1:[N:19]:[C:20]([H:48]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:49]):[N:26]:2[C@:27]1([H:50])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:51])[O:35][P:36](=[O:37])([O:38][H:52])[O:39][P:40](=[O:41])([O:42][H:53])[O:43][H:54])([H:55])[H:56])([H:57])[C@:44]([O:45][H:58])([H:59])[C@:46]1([O:47][H:60])[H:61])([H:62])[H:63].[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:64])([H:65])[H:66])[H:67]>>[H]C1:N:C(C([H])([H])[C@@]([H])(C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:64])([H:65])[H:66])[H:67])N([H])[H]):C([H]):N:1[H].[H]O[P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:57])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:48]):[N:19]:[C:18]([N:17]([H:62])[H:63]):[C:23]:3:[N:24]:[C:25]:2[H:49])([H:50])[C@@:46]([O:47][H:60])([H:61])[C@@:44]1([O:45][H:58])[H:59])([H:55])[H:56])(=[O:33])[O:34][H:51])(=[O:37])[O:38][H:52].[H][O:39][P:40](=[O:41])([O:42][H:53])[O:43][H:54]
Derived Operators
EVODEX.1-F210 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 3 |
| H | 9 |
EVODEX.1-M71 - Mass Difference
155.06957
EVODEX.1-E915 - Reaction Operator E
[#7:12](-[#6@@:13])(-[H:64])-[H].([#8:42]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]-[#15:47].[#8:52]-[#6@@:51](-[#6@@:36])(-[H:86])-[#6@:53](-[#6@:34])(-[#8:54])-[H:88])>>[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:64])-[H])(-[H])-[H].([#8](-[#15:43](-[#8:42])(=[#8:44])-[#8:45])-[H].[#8:54]-[#6@:53](-[#6@:34])(-[H:88])-[#6@@:51](-[#6@@:36])(-[#8:52])-[H:86]).[#8:46](-[#15:47])-[H]
EVODEX.1-C855 - Reaction Operator C
([#15:36]-[#8:39].[#6@:44]-[#6@:46]).[H]-[#7:1]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H].([H]-[#8]-[#15:36].[#6@@:46]-[#6@@:44]).[H]-[#8:39]
EVODEX.1-N1066 - Reaction Operator N
([#8:35]-[#15:36](=[#8:37])(-[#8:38])-[#8:39]-[#15:40].[#8:45]-[#6@@:44](-[#6@@:29])(-[H:59])-[#6@:46](-[#6@:27])(-[#8:47])-[H:61]).[H]-[#7:1](-[#6:2])-[H:67]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6:2])-[H:67])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H].([H]-[#8]-[#15:36](-[#8:35])(=[#8:37])-[#8:38].[#8:47]-[#6@:46](-[#6@:27])(-[H:61])-[#6@@:44](-[#6@@:29])(-[#8:45])-[H:59]).[H]-[#8:39]-[#15:40]
EVODEX.1-Em22 - Reaction Operator Em
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
EVODEX.1-Cm36 - Reaction Operator Cm
[H]-[#7:47].[#15:74]-[#8:77]>>[#6]-[#7:47].[#8]-[#15:74].[H]-[#8:77]
EVODEX.1-Nm22 - Reaction Operator Nm
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
Source Full Reactions
EVODEX.1-R7859
[N:17]([C:18]1:[N:19]:[C:20]([H:48]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:49]):[N:26]:2[C@:27]1([H:50])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:51])[O:35][P:36](=[O:37])([O:38][H:52])[O:39][P:40](=[O:41])([O:42][H:53])[O:43][H:54])([H:55])[H:56])([H:57])[C@:44]([O:45][H:58])([H:59])[C@:46]1([O:47][H:60])[H:61])([H:62])[H:63].[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:64])([H:65])[H:66])[H:67].[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:69]):[N:11]([H:70]):[C:12]([H:71]):[N:13]:1)([H:72])[H:73])([C:14](=[O:15])[O:16][H:74])[H:75])([H:76])[H:77]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:64])([H:65])[H:66])([C:14]([C@@:7]([N:6]([H:76])[H:77])([C:8]([C:9]1:[C:10]([H:69]):[N:11]([H:70]):[C:12]([H:71]):[N:13]:1)([H:72])[H:73])[H:75])=[O:15])[H:67].[O:16]([P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:57])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:48]):[N:19]:[C:18]([N:17]([H:62])[H:63]):[C:23]:3:[N:24]:[C:25]:2[H:49])([H:50])[C@@:46]([O:47][H:60])([H:61])[C@@:44]1([O:45][H:58])[H:59])([H:55])[H:56])(=[O:33])[O:34][H:51])(=[O:37])[O:38][H:52])[H:74].[H][O:39][P:40](=[O:41])([O:42][H:53])[O:43][H:54]