SMIRKS
[N:20]([C:21]1:[N:22]:[C:23]([H:62]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:63]):[N:29]:2[C@:30]1([H:64])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:65])[O:38][P:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68])([H:69])[H:70])([H:71])[C@:47]([O:48][H:72])([H:73])[C@:49]1([O:50][H:74])[H:75])([H:76])[H:77].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:78]):[N:14]([H:79]):[C:15]([H:80]):[N:16]:1)([H:81])[H:82])([C:17](=[O:18])[O:19][H:83])[H:84])([H:85])[H:86]>>[H]OC(=O)[C@@]([H])(N([H])[C:17]([C@@:10]([N:9]([H:85])[H:86])([C:11]([C:12]1:[C:13]([H:78]):[N:14]([H:79]):[C:15]([H:80]):[N:16]:1)([H:81])[H:82])[H:84])=[O:18])C([H])(C([H])([H])[H])C([H])([H])[H].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:62]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:63])([H:64])[C@@:49]([O:50][H:74])([H:75])[C@@:47]1([O:48][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:65])(=[O:40])[O:41][H:66])[H:83].[H][O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68]
Derived Operators
EVODEX.1-F146 - Elemental Balance
| O | 2 |
| C | 5 |
| N | 1 |
| H | 11 |
EVODEX.1-M116 - Mass Difference
117.07903
EVODEX.1-E804 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108].([#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76].[#8:81]-[#6@@:80](-[#6@@:65])(-[H:137])-[#6@:82](-[#6@:63])(-[#8:83])-[H:139])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:72](-[#8:71])(=[#8:73])-[#8:74])-[H:108].[#8:83]-[#6@:82](-[#6@:63])(-[H:139])-[#6@@:80](-[#6@@:65])(-[#8:81])-[H:137]).[#8:75](-[#15:76])-[H]
EVODEX.1-C826 - Reaction Operator C
([#15:39]-[#8:42].[#6@:47]-[#6@:49]).[#6:17]-[#8:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].([#8:19]-[#15:39].[#6@@:49]-[#6@@:47]).[H]-[#8:42]
EVODEX.1-N1037 - Reaction Operator N
([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:73])-[#6@:49](-[#6@:30])(-[#8:50])-[H:75]).[#6:17](-[#6@@:10])(=[#8:18])-[#8:19]-[H:83]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6@@:10])=[#8:18])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].([#8:19](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:83].[#8:50]-[#6@:49](-[#6@:30])(-[H:75])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:73]).[H]-[#8:42]-[#15:43]
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-R7861
[H][N:5]([C@@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:51])([H:52])[H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54].[N:20]([C:21]1:[N:22]:[C:23]([H:62]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:63]):[N:29]:2[C@:30]1([H:64])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:65])[O:38][P:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68])([H:69])[H:70])([H:71])[C@:47]([O:48][H:72])([H:73])[C@:49]1([O:50][H:74])[H:75])([H:76])[H:77].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:78]):[N:14]([H:79]):[C:15]([H:80]):[N:16]:1)([H:81])[H:82])([C:17](=[O:18])[O:19][H:83])[H:84])([H:85])[H:86]>>[C:1]([C:2]([C:3]([H:51])([H:52])[H:53])([C@:4]([N:5]([C:17]([C@@:10]([N:9]([H:85])[H:86])([C:11]([C:12]1:[C:13]([H:78]):[N:14]([H:79]):[C:15]([H:80]):[N:16]:1)([H:81])[H:82])[H:84])=[O:18])[H:54])([C:6](=[O:7])[O:8][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:62]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:63])([H:64])[C@@:49]([O:50][H:74])([H:75])[C@@:47]1([O:48][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:65])(=[O:40])[O:41][H:66])[H:83].[H][O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68]