Ethanol → HCID 21890750, compound
Reaction equation
[CH3:29][O:30][c:31]1[cH:32][c:33]2[c:34]([O:43][c:44]3[cH:45][cH:46][c:47]([NH2:48])[cH:49][cH:50]3)[n:35][cH:36][n:37][c:38]2[cH:39][c:40]1[O:41][CH3:42].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH3:72][CH2:73][OH:74].[S:1]([Cl:2])([Cl:3])=[O:4].[c:17]1([CH2:18][CH2:19][CH2:20][C:21]([Cl:22])=[O:23])[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:51]1([CH2:57][CH2:58][CH2:59][C:60](=[O:61])[N:62]=[C:63]=[S:64])[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:5]1([CH2:6][CH2:7][CH2:8][C:9]([OH:10])=[O:11])[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[CH3:29][O:30][c:31]1[cH:32][c:33]2[c:34]([O:43][c:44]3[cH:45][cH:46][c:47]([NH:48][C:63]([NH:62][C:60]([CH2:59][CH2:58][CH2:57][c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)=[O:61])=[S:64])[cH:49][cH:50]3)[n:35][cH:36][n:37][c:38]2[cH:39][c:40]1[O:41][CH3:42]Participants
8
Sources & evidence
- ORD record
- ord-a7578dff61094a89816ae7327db84170
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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