Ethanol → HCID 21890100, compound
Reaction equation
[CH3:31][O:32][c:33]1[cH:34][c:35]2[c:36]([O:45][c:46]3[cH:47][cH:48][c:49]([NH2:50])[cH:51][cH:52]3)[n:37][cH:38][n:39][c:40]2[cH:41][c:42]1[O:43][CH3:44].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:75][CH2:76][OH:77].[Cl:18][c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[O:25][CH:26]([CH3:27])[C:28]([Cl:29])=[O:30].[Cl:53][c:54]1[c:55]([O:56][CH:57]([C:58](=[O:59])[N:60]=[C:61]=[S:62])[CH3:63])[cH:64][cH:65][cH:66][cH:67]1.[Cl:5][c:6]1[cH:7][cH:8][cH:9][cH:10][c:11]1[O:12][CH:13]([CH3:14])[C:15]([OH:16])=[O:17].[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:31][O:32][c:33]1[cH:34][c:35]2[c:36]([O:45][c:46]3[cH:47][cH:48][c:49]([NH:50][C:61]([NH:60][C:58]([CH:57]([O:56][c:55]4[c:54]([Cl:53])[cH:67][cH:66][cH:65][cH:64]4)[CH3:63])=[O:59])=[S:62])[cH:51][cH:52]3)[n:37][cH:38][n:39][c:40]2[cH:41][c:42]1[O:43][CH3:44]Participants
8
Sources & evidence
- ORD record
- ord-3554a219ce5d4072a68a61fb1ac4b18a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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