SMIRKS
[N:23]([C:24]1:[N:25]:[C:26]([H:65]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:66]):[N:32]:2[C@:33]1([H:67])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:68])[O:41][P:42](=[O:43])([O:44][H:69])[O:45][P:46](=[O:47])([O:48][H:70])[O:49][H:71])([H:72])[H:73])([H:74])[C@:50]([O:51][H:75])([H:76])[C@:52]1([O:53][H:77])[H:78])([H:79])[H:80].[N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14](=[O:15])[N:16]([C:17]([C@:18]([N:19]([H:81])[H:82])([C:20](=[O:21])[O:22][H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:89])([H:90])[H:91]>>[H]OC(=O)[C@@]([H])(N([H])[C:20]([C@:18]([C:17]([N:16]([C:14]([C:13](=[C:12]([C:10]([N:9]([H:90])[H:91])=[O:11])[H:89])[H:88])=[O:15])[H:87])([H:85])[H:86])([N:19]([H:81])[H:82])[H:84])=[O:21])C([H])(C([H])([H])[H])C([H])([H])[H].[O:22]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:74])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:65]):[N:25]:[C:24]([N:23]([H:79])[H:80]):[C:29]:3:[N:30]:[C:31]:2[H:66])([H:67])[C@@:52]([O:53][H:77])([H:78])[C@@:50]1([O:51][H:75])[H:76])([H:72])[H:73])(=[O:39])[O:40][H:68])(=[O:43])[O:44][H:69])[H:83].[H][O:45][P:46](=[O:47])([O:48][H:70])[O:49][H:71]
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-R7745
[H][N:5]([C@@:4]([C:2]([C:1]([H:62])([H:63])[H:64])([C:3]([H:54])([H:55])[H:56])[H:61])([C:6](=[O:7])[O:8][H:59])[H:60])[H:57].[N:23]([C:24]1:[N:25]:[C:26]([H:65]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:66]):[N:32]:2[C@:33]1([H:67])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:68])[O:41][P:42](=[O:43])([O:44][H:69])[O:45][P:46](=[O:47])([O:48][H:70])[O:49][H:71])([H:72])[H:73])([H:74])[C@:50]([O:51][H:75])([H:76])[C@:52]1([O:53][H:77])[H:78])([H:79])[H:80].[N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14](=[O:15])[N:16]([C:17]([C@:18]([N:19]([H:81])[H:82])([C:20](=[O:21])[O:22][H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:54])([H:55])[H:56])([C@:4]([N:5]([C:20]([C@:18]([C:17]([N:16]([C:14]([C:13](=[C:12]([C:10]([N:9]([H:90])[H:91])=[O:11])[H:89])[H:88])=[O:15])[H:87])([H:85])[H:86])([N:19]([H:81])[H:82])[H:84])=[O:21])[H:57])([C:6](=[O:7])[O:8][H:59])[H:60])[H:61])([H:62])([H:63])[H:64].[O:22]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:74])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:65]):[N:25]:[C:24]([N:23]([H:79])[H:80]):[C:29]:3:[N:30]:[C:31]:2[H:66])([H:67])[C@@:52]([O:53][H:77])([H:78])[C@@:50]1([O:51][H:75])[H:76])([H:72])[H:73])(=[O:39])[O:40][H:68])(=[O:43])[O:44][H:69])[H:83].[H][O:45][P:46](=[O:47])([O:48][H:70])[O:49][H:71]