SMIRKS
[N:18]([C:19]1:[N:20]:[C:21]([H:49]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:50]):[N:27]:2[C@:28]1([H:51])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:52])[O:36][P:37](=[O:38])([O:39][H:53])[O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55])([H:56])[H:57])([H:58])[C@:45]([O:46][H:59])([H:60])[C@:47]1([O:48][H:61])[H:62])([H:63])[H:64].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:72]):[N:12]:[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:72]):[N:12]:[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79].[H][O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55].[H]O[P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:58])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:49]):[N:20]:[C:19]([N:18]([H:63])[H:64]):[C:24]:3:[N:25]:[C:26]:2[H:50])([H:51])[C@@:47]([O:48][H:61])([H:62])[C@@:45]1([O:46][H:59])[H:60])([H:56])[H:57])(=[O:34])[O:35][H:52])(=[O:38])[O:39][H:53]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E806 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:49])-[H].([#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]-[#15:38].[#8:43]-[#6@@:42](-[#6@@:27])(-[H:68])-[#6@:44](-[#6@:25])(-[#8:45])-[H:70])>>[#7:5](-[#6@:4])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:49].([#8](-[#15:34](-[#8:33])(=[#8:35])-[#8:36])-[H].[#8:45]-[#6@:44](-[#6@:25])(-[H:70])-[#6@@:42](-[#6@@:27])(-[#8:43])-[H:68]).[#8:37](-[#15:38])-[H]
EVODEX.1-C934 - Reaction Operator C
[H]-[#7:6].([#15:35]-[#8:38].[#6@:43]-[#6@:45])>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6].([H]-[#8]-[#15:35].[#6@@:45]-[#6@@:43]).[H]-[#8:38]
EVODEX.1-N1170 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:50].([#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38]-[#15:39].[#8:44]-[#6@@:43](-[#6@@:28])(-[H:78])-[#6@:45](-[#6@:26])(-[#8:46])-[H:80])>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:50].([H]-[#8]-[#15:35](-[#8:34])(=[#8:36])-[#8:37].[#8:46]-[#6@:45](-[#6@:26])(-[H:80])-[#6@@:43](-[#6@@:28])(-[#8:44])-[H:78]).[H]-[#8:38]-[#15:39]
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-R7561
[N:18]([C:19]1:[N:20]:[C:21]([H:49]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:50]):[N:27]:2[C@:28]1([H:51])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:52])[O:36][P:37](=[O:38])([O:39][H:53])[O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55])([H:56])[H:57])([H:58])[C@:45]([O:46][H:59])([H:60])[C@:47]1([O:48][H:61])[H:62])([H:63])[H:64].[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:72]):[N:12]:[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:72]):[N:12]:[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[H][O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55].[O:6]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:58])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:49]):[N:20]:[C:19]([N:18]([H:63])[H:64]):[C:24]:3:[N:25]:[C:26]:2[H:50])([H:51])[C@@:47]([O:48][H:61])([H:62])[C@@:45]1([O:46][H:59])[H:60])([H:56])[H:57])(=[O:34])[O:35][H:52])(=[O:38])[O:39][H:53])[H:65]