SMIRKS
[H][C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:56](=[O:57])[O:58][H].O=[O:59]>>[C:56](=[O:57])=[O:58].[H][O:59][C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93]
Derived Operators
EVODEX.1-F133 - Elemental Balance
| O | -4 |
| C | -4 |
| H | -6 |
EVODEX.1-M44 - Mass Difference
-118.02658
EVODEX.1-E777 - Reaction Operator E
[#7:4]-[#6:5](-[#6:6])(-[H:35])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#6:20](=[#8:21])-[#8:22]-[H])(-[H])-[H])(-[H])-[H].[#8:23]=[#8]>>[#6:20](=[#8:21])=[#8:22].[#7:4]-[#6:5](-[#6:6])(-[#8:23]-[H])-[H:35]
EVODEX.1-C53 - Reaction Operator C
[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:17]-[#8:19]-[H].[#8]=[#8:20]>>[#6:17]=[#8:19].[H]-[#8:20]-[#6:4]
EVODEX.1-N158 - Reaction Operator N
[H]-[#6:99](-[H:207])(-[#7:98])-[#6:100].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:128](=[#8:129])-[#8:130]-[H].[#8]=[#8:131]>>[#6:128](=[#8:129])=[#8:130].[H]-[#8:131]-[#6:99](-[H:207])(-[#7:98])-[#6:100]
EVODEX.1-Em240 - Reaction Operator Em
[H]-[#6:99](-[#7:98])-[#6:100].[#6]-[#6](=[#8])-[#6:128](=[#8:129])-[#8:130]-[H].[#8]=[#8:131]>>[#6:128](=[#8:129])=[#8:130].[H]-[#8:131]-[#6:99](-[#7:98])-[#6:100]
EVODEX.1-Cm54 - Reaction Operator Cm
[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]
EVODEX.1-Nm238 - Reaction Operator Nm
[H]-[#6:99](-[#7:98])-[#6:100].[#6]-[#6](=[#8])-[#6:128](=[#8:129])-[#8:130]-[H].[#8]=[#8:131]>>[#6:128](=[#8:129])=[#8:130].[H]-[#8:131]-[#6:99](-[#7:98])-[#6:100]
Source Full Reactions
EVODEX.1-R373
[H][C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93].[H][O:58][C:56]([C:54]([C:53]([C:52]([C:50](=[O:49])[O:51][H:100])([H:104])[H:105])([H:102])[H:103])=[O:55])=[O:57].[O:59]=[O:60]>>[C:56](=[O:57])=[O:58].[H][O:59][C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93].[H][O:60][C:54]([C:53]([C:52]([C:50](=[O:49])[O:51][H:100])([H:104])[H:105])([H:102])[H:103])=[O:55]