SMIRKS
[H]O[C:26]([C:25]([C:24]([C@:23]([N:22]([C:20]([C:19]1:[C:18]([H:82]):[C:17]([H:81]):[C:16]([N:15]([C:14]([C@:13]2([H:96])[N:2]([C:1]([H:97])([H:98])[H:99])[C:3]3:[C:4](:[N:5]:[C:6]([N:7]([H:75])[H:76]):[N:8]([H:77]):[C:9]:3=[O:10])[N:11]([H:78])[C:12]2([H:79])[H:80])([H:94])[H:95])[H:93]):[C:33]([H:92]):[C:32]:1[H:91])=[O:21])[H:90])([C:29](=[O:30])[O:31][H:88])[H:89])([H:86])[H:87])([H:84])[H:85])=[O:27].[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:66][P:67](=[O:68])([O:69][H:114])[O:70][H:115]>>[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:26]([C:25]([C:24]([C@:23]([N:22]([C:20]([C:19]1:[C:18]([H:82]):[C:17]([H:81]):[C:16]([N:15]([C:14]([C@:13]2([H:96])[N:2]([C:1]([H:97])([H:98])[H:99])[C:3]3:[C:4](:[N:5]:[C:6]([N:7]([H:75])[H:76]):[N:8]([H:77]):[C:9]:3=[O:10])[N:11]([H:78])[C:12]2([H:79])[H:80])([H:94])[H:95])[H:93]):[C:33]([H:92]):[C:32]:1[H:91])=[O:21])[H:90])([C:29](=[O:30])[O:31][H:88])[H:89])([H:86])[H:87])([H:84])[H:85])=[O:27].[H][O:66][P:67](=[O:68])([O:69][H:114])[O:70][H:115]
Derived Operators
EVODEX.1-F457 - Elemental Balance
| P | -2 |
| O | -6 |
| C | -5 |
| N | -4 |
| H | -6 |
EVODEX.1-M162 - Mass Difference
-279.97638
EVODEX.1-E1267 - Reaction Operator E
[#6:27](-[#6@@:25])(=[#8:28])-[#8]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:62]-[#15:63])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:27](-[#6@@:25])(=[#8:28])-[#7](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:62](-[#15:63])-[H]
EVODEX.1-C804 - Reaction Operator C
[H]-[#8]-[#6:45].[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])-[#8:86]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:45].[H]-[#8:86]
EVODEX.1-N1015 - Reaction Operator N
[H]-[#8]-[#6:45](-[#6@@:39])=[#8:46].[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])-[#8:86]-[#15:87]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:45](-[#6@@:39])=[#8:46].[H]-[#8:86]-[#15:87]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7609
[C:1]([N:2]1[C:3]2:[C:4](:[N:5]:[C:6]([N:7]([H:75])[H:76]):[N:8]([H:77]):[C:9]:2=[O:10])[N:11]([H:78])[C:12]([H:79])([H:80])[C@@:13]1([C:14]([N:15]([C:16]1:[C:17]([H:81]):[C:18]([H:82]):[C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[O:28][H:83])([H:84])[H:85])([H:86])[H:87])([C:29](=[O:30])[O:31][H:88])[H:89])[H:90]):[C:32]([H:91]):[C:33]:1[H:92])[H:93])([H:94])[H:95])[H:96])([H:97])([H:98])[H:99].[H][N:34]([C@@:35]([C:36]([C:37]([C:38](=[O:39])[O:40][H:100])([H:101])[H:102])([H:103])[H:104])([C:41](=[O:42])[O:43][H:105])[H:106])[H:107].[N:44]([C:45]1:[N:46]:[C:47]([H:109]):[N:48]:[C:49]2:[C:50]:1:[N:51]:[C:52]([H:110]):[N:53]:2[C@:54]1([H:111])[O:55][C@@:56]([C:57]([O:58][P:59](=[O:60])([O:61][H:112])[O:62][P:63](=[O:64])([O:65][H:113])[O:66][P:67](=[O:68])([O:69][H:114])[O:70][H:115])([H:116])[H:117])([H:118])[C@:71]([O:72][H:119])([H:120])[C@:73]1([O:74][H:121])[H:122])([H:123])[H:124]>>[C:1]([N:2]1[C:3]2:[C:4](:[N:5]:[C:6]([N:7]([H:75])[H:76]):[N:8]([H:77]):[C:9]:2=[O:10])[N:11]([H:78])[C:12]([H:79])([H:80])[C@@:13]1([C:14]([N:15]([C:16]1:[C:17]([H:81]):[C:18]([H:82]):[C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[N:34]([C@@:35]([C:36]([C:37]([C:38](=[O:39])[O:40][H:100])([H:101])[H:102])([H:103])[H:104])([C:41](=[O:42])[O:43][H:105])[H:106])[H:107])([H:84])[H:85])([H:86])[H:87])([C:29](=[O:30])[O:31][H:88])[H:89])[H:90]):[C:32]([H:91]):[C:33]:1[H:92])[H:93])([H:94])[H:95])[H:96])([H:97])([H:98])[H:99].[O:28]([P:63]([O:62][P:59]([O:58][C:57]([C@@:56]1([H:118])[O:55][C@:54]([N:53]2:[C:49]3:[N:48]:[C:47]([H:109]):[N:46]:[C:45]([N:44]([H:123])[H:124]):[C:50]:3:[N:51]:[C:52]:2[H:110])([H:111])[C@@:73]([O:74][H:121])([H:122])[C@@:71]1([O:72][H:119])[H:120])([H:116])[H:117])(=[O:60])[O:61][H:112])(=[O:64])[O:65][H:113])[H:83].[H][O:66][P:67](=[O:68])([O:69][H:114])[O:70][H:115]