SMIRKS
[H][O:29][P:27]([O:26][C:25]([C:24]([C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:107])([H:108])[H:109])[C:3]([H:65])([H:66])[H:67])[H:106])([H:104])[H:105])([H:102])[H:103])[C:8]([H:68])([H:69])[H:70])[H:101])([H:99])[H:100])([H:97])[H:98])[C:13]([H:71])([H:72])[H:73])[H:96])([H:94])[H:95])([H:92])[H:93])[C:18]([H:74])([H:75])[H:76])[H:91])([H:89])[H:90])([H:87])[H:88])([C:23]([H:77])([H:78])[H:79])[H:86])([H:84])[H:85])([H:82])[H:83])(=[O:28])[O:30][H:81].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:49]1([H:115])[O:50][C:51]([H:116])([H:117])[C@:52]([O:53][H:118])([H:119])[C@@:54]([O:55][H:120])([H:121])[C@:56]1([O:57][H:122])[H:123]>>[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:68])([H:69])[H:70])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:71])([H:72])[H:73])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:74])([H:75])[H:76])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:77])([H:78])[H:79])([C:24]([C:25]([O:26][P:27](=[O:28])([O:29][C@:49]1([H:115])[O:50][C:51]([H:116])([H:117])[C@:52]([O:53][H:118])([H:119])[C@@:54]([O:55][H:120])([H:121])[C@:56]1([O:57][H:122])[H:123])[O:30][H:81])([H:82])[H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105])[H:106])([H:107])([H:108])[H:109]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1113 - Reaction Operator E
[#8](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:41]-[#8:42]-[H]>>[#8:42](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15:41]
EVODEX.1-C64 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N1205 - Reaction Operator N
[H]-[#8:29]-[#15:27].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:49](-[H:115])(-[#8:50])-[#6@:56]>>[#15:27]-[#8:29]-[#6@:49](-[H:115])(-[#8:50])-[#6@:56]
EVODEX.1-Em99 - Reaction Operator Em
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
EVODEX.1-Nm132 - Reaction Operator Nm
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
Source Full Reactions
EVODEX.1-R3258
[H][O:29][P:27]([O:26][C:25]([C:24]([C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:107])([H:108])[H:109])[C:3]([H:65])([H:66])[H:67])[H:106])([H:104])[H:105])([H:102])[H:103])[C:8]([H:68])([H:69])[H:70])[H:101])([H:99])[H:100])([H:97])[H:98])[C:13]([H:71])([H:72])[H:73])[H:96])([H:94])[H:95])([H:92])[H:93])[C:18]([H:74])([H:75])[H:76])[H:91])([H:89])[H:90])([H:87])[H:88])([C:23]([H:77])([H:78])[H:79])[H:86])([H:84])[H:85])([H:82])[H:83])(=[O:28])[O:30][H:81].[O:31]=[C:32]1:[C:33]([H:110]):[C:34]([H:111]):[N:35]([C@:36]2([H:112])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:113])[O:44][P:45](=[O:46])([O:47][H:114])[O:48][C@@:49]3([H:115])[O:50][C:51]([H:116])([H:117])[C@:52]([O:53][H:118])([H:119])[C@@:54]([O:55][H:120])([H:121])[C@:56]3([O:57][H:122])[H:123])([H:124])[H:125])([H:126])[C@:58]([O:59][H:127])([H:128])[C@:60]2([O:61][H:129])[H:130]):[C:62](=[O:63]):[N:64]:1[H:131]>>[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:68])([H:69])[H:70])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:71])([H:72])[H:73])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:74])([H:75])[H:76])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:77])([H:78])[H:79])([C:24]([C:25]([O:26][P:27](=[O:28])([O:29][C@:49]1([H:115])[O:50][C:51]([H:116])([H:117])[C@:52]([O:53][H:118])([H:119])[C@@:54]([O:55][H:120])([H:121])[C@:56]1([O:57][H:122])[H:123])[O:30][H:81])([H:82])[H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105])[H:106])([H:107])([H:108])[H:109].[H][O:48][P:45]([O:44][P:41]([O:40][C:39]([C@@:38]1([H:126])[O:37][C@:36]([N:35]2:[C:34]([H:111]):[C:33]([H:110]):[C:32](=[O:31]):[N:64]([H:131]):[C:62]:2=[O:63])([H:112])[C@@:60]([O:61][H:129])([H:130])[C@@:58]1([O:59][H:127])[H:128])([H:124])[H:125])(=[O:42])[O:43][H:113])(=[O:46])[O:47][H:114]