SMIRKS
[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])([C:20](=[O:21])[O:22][H:74])[H:75])([H:76])[H:77].[H]OP(=O)(O[H])O[P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:87])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:78]):[N:25]:[C:24]([N:23]([H:92])[H:93]):[C:29]:3:[N:30]:[C:31]:2[H:79])([H:80])[C@@:52]([O:53][H:90])([H:91])[C@@:50]1([O:51][H:88])[H:89])([H:85])[H:86])(=[O:39])[O:40][H:81])(=[O:43])[O:44][H:82]>>[H]OC(=O)[C@@]([H])(N([H])[C:20]([C@@:11]([N:10]([H:76])[H:77])([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])[H:75])=[O:21])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[O:22]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:87])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:78]):[N:25]:[C:24]([N:23]([H:92])[H:93]):[C:29]:3:[N:30]:[C:31]:2[H:79])([H:80])[C@@:52]([O:53][H:90])([H:91])[C@@:50]1([O:51][H:88])[H:89])([H:85])[H:86])(=[O:39])[O:40][H:81])(=[O:43])[O:44][H:82])[H:74]
Derived Operators
EVODEX.1-F565 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 6 |
| N | 1 |
| H | 10 |
EVODEX.1-M533 - Mass Difference
33.1178
EVODEX.1-E1388 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:109].([#8:72]-[#15:73](=[#8:74])(-[#8:75])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:82]-[#6@@:81](-[#6@@:66])(-[H:140])-[#6@:83](-[#6@:64])(-[#8:84])-[H:142])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:73](-[#8:72])(=[#8:74])-[#8:75])-[H:109].[#8:84]-[#6@:83](-[#6@:64])(-[H:142])-[#6@@:81](-[#6@@:66])(-[#8:82])-[H:140])
EVODEX.1-C833 - Reaction Operator C
[#6:20]-[#8:22].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[#8:22]-[#15:42]
EVODEX.1-N1044 - Reaction Operator N
[#6:20](-[#6@@:11])(=[#8:21])-[#8:22]-[H:74].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42](-[#8:41])(=[#8:43])-[#8:44]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20](-[#6@@:11])=[#8:21])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[#8:22](-[#15:42](-[#8:41])(=[#8:43])-[#8:44])-[H:74]
EVODEX.1-Em25 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Nm25 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7818
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([C:4]([H:54])([H:55])[H:56])[H:61])([C:7](=[O:8])[O:9][H:59])[H:60])[H:57].[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])([C:20](=[O:21])[O:22][H:74])[H:75])([H:76])[H:77].[N:23]([C:24]1:[N:25]:[C:26]([H:78]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:79]):[N:32]:2[C@:33]1([H:80])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:81])[O:41][P:42](=[O:43])([O:44][H:82])[O:45][P:46](=[O:47])([O:48][H:83])[O:49][H:84])([H:85])[H:86])([H:87])[C@:50]([O:51][H:88])([H:89])[C@:52]1([O:53][H:90])[H:91])([H:92])[H:93]>>[C:1]([C:2]([C@:3]([C:4]([H:54])([H:55])[H:56])([C@:5]([N:6]([C:20]([C@@:11]([N:10]([H:76])[H:77])([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])[H:75])=[O:21])[H:57])([C:7](=[O:8])[O:9][H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[O:22]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:87])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:78]):[N:25]:[C:24]([N:23]([H:92])[H:93]):[C:29]:3:[N:30]:[C:31]:2[H:79])([H:80])[C@@:52]([O:53][H:90])([H:91])[C@@:50]1([O:51][H:88])[H:89])([H:85])[H:86])(=[O:39])[O:40][H:81])(=[O:43])[O:44][H:82])[H:74].[H][O:45][P:46](=[O:47])([O:48][H:83])[O:49][H:84]