Aspirin → 4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl 2-acetoxybenzoate
Reaction equation
[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11]([OH:12])=[O:13].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:24]1([N:25]=[C:26]=[N:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[OH:14][c:15]1[c:16]2[n:17][n:18][nH:19][c:20]2[cH:21][cH:22][cH:23]1.[OH:39][c:40]1[cH:41][cH:42][c:43](-[c:46]2[cH:47][c:48](=[S:51])[s:49][s:50]2)[cH:44][cH:45]1>>[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11]([O:12][c:40]1[cH:41][cH:42][c:43](-[c:46]2[cH:47][c:48](=[S:51])[s:49][s:50]2)[cH:44][cH:45]1)=[O:13]Participants
7
Sources & evidence
- ORD record
- ord-f5cb91dfd40045aaab7568dfce72784a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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