SMIRKS
[N:13](=[C:14]([N:15]([H:88])[H:89])[N:16]([C:17]([C:18]([C:19]([C@:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([H:90])[H:91])([C:27](=[O:28])[N:29]([C:30]([C:31]([C:32](=[O:33])[O:34][H:92])([H:93])[H:94])([C:35](=[O:36])[O:37][H:95])[H:96])[H:97])[H:98])([H:99])[H:100])[H:101])([C:38](=[O:39])[O:40][H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])[H:110])[H:111].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:125])[N:3]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([C:10](=[O:11])[O:12][H:116])[H:117])[H:114]>>[N:1](=[C:2]([N:3]([H:112])[H:113])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:32]([C:31]([C:30]([N:29]([C:27]([C:25]([C:24]([C:22]([N:21]([C@@:20]([C:19]([C:18]([C:17]([N:16]([C:14](=[N:13][H:111])[N:15]([H:88])[H:89])[H:110])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([C:38](=[O:39])[O:40][H:102])[H:103])[H:101])=[O:23])([H:99])[H:100])([N:26]([H:90])[H:91])[H:98])=[O:28])[H:97])([C:35](=[O:36])[O:37][H:95])[H:96])([H:93])[H:94])=[O:33])[H:114])([C:10](=[O:11])[O:12][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:34][H:92]
Derived Operators
EVODEX.1-F112 - Elemental Balance
| P | 2 |
| O | 9 |
| C | 10 |
| N | 5 |
| H | 13 |
EVODEX.1-M32 - Mass Difference
409.01899
EVODEX.1-E717 - Reaction Operator E
([#6:19]-[#6@:20](-[#7:21])(-[#6:38])-[H:103].[#6:31]-[#6:32](=[#8:33])-[#8:34]-[H:92]).[#7:9](-[#6@:8])(-[H:114])-[H]>>([#7:9](-[#6@:8])(-[#6:32](-[#6:31])=[#8:33])-[H:114].[#7:21]-[#6@@:20](-[#6:19])(-[#6:38])-[H:103]).[#8:34](-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H])-[H:92]
EVODEX.1-C1154 - Reaction Operator C
([#6:32]-[#8:34].[#6@:20]).[H]-[#7:9]-[#6@@:8]>>([#7:9](-[#6@:8])-[#6:32].[#6@@:20]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:34]
EVODEX.1-N1894 - Reaction Operator N
([#6:19]-[#6@:20](-[#7:21])(-[#6:38])-[H:103].[#6:31]-[#6:32](=[#8:33])-[#8:34]-[H:92]).[H]-[#7:9](-[#6@@:8](-[#6:7])(-[#6:10])-[H:117])-[H:114]>>([#6:7]-[#6@:8](-[#7:9](-[#6:32](-[#6:31])=[#8:33])-[H:114])(-[#6:10])-[H:117].[#7:21]-[#6@@:20](-[#6:19])(-[#6:38])-[H:103]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:34]-[H:92]
EVODEX.1-Em41 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
EVODEX.1-Nm46 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
Source Full Reactions
EVODEX.1-R7713
[N:41]([C:42]1:[N:43]:[C:44]([H:72]):[N:45]:[C:46]2:[C:47]:1:[N:48]:[C:49]([H:73]):[N:50]:2[C@:51]1([H:74])[O:52][C@@:53]([C:54]([O:55][P:56](=[O:57])([O:58][H:75])[O:59][P:60](=[O:61])([O:62][H:76])[O:63][P:64](=[O:65])([O:66][H:77])[O:67][H:78])([H:79])[H:80])([H:81])[C@:68]([O:69][H:82])([H:83])[C@:70]1([O:71][H:84])[H:85])([H:86])[H:87].[N:13](=[C:14]([N:15]([H:88])[H:89])[N:16]([C:17]([C:18]([C:19]([C@:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([H:90])[H:91])([C:27](=[O:28])[N:29]([C:30]([C:31]([C:32](=[O:33])[O:34][H:92])([H:93])[H:94])([C:35](=[O:36])[O:37][H:95])[H:96])[H:97])[H:98])([H:99])[H:100])[H:101])([C:38](=[O:39])[O:40][H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])[H:110])[H:111].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:125])[N:3]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([C:10](=[O:11])[O:12][H:116])[H:117])[H:114]>>[N:1](=[C:2]([N:3]([H:112])[H:113])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:32]([C:31]([C:30]([N:29]([C:27]([C:25]([C:24]([C:22]([N:21]([C@@:20]([C:19]([C:18]([C:17]([N:16]([C:14](=[N:13][H:111])[N:15]([H:88])[H:89])[H:110])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([C:38](=[O:39])[O:40][H:102])[H:103])[H:101])=[O:23])([H:99])[H:100])([N:26]([H:90])[H:91])[H:98])=[O:28])[H:97])([C:35](=[O:36])[O:37][H:95])[H:96])([H:93])[H:94])=[O:33])[H:114])([C:10](=[O:11])[O:12][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125].[O:34]([P:60]([O:59][P:56]([O:55][C:54]([C@@:53]1([H:81])[O:52][C@:51]([N:50]2:[C:46]3:[N:45]:[C:44]([H:72]):[N:43]:[C:42]([N:41]([H:86])[H:87]):[C:47]:3:[N:48]:[C:49]:2[H:73])([H:74])[C@@:70]([O:71][H:84])([H:85])[C@@:68]1([O:69][H:82])[H:83])([H:79])[H:80])(=[O:57])[O:58][H:75])(=[O:61])[O:62][H:76])[H:92].[H][O:63][P:64](=[O:65])([O:66][H:77])[O:67][H:78]