Acetic Acid → HCID 178468947, compound
Reaction equation
[CH3:54][C:55](=[O:56])[OH:57].[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([S:52][CH3:53])[n:8]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23](-[c:28]4[n:29][n:30][n:31][n:32]4[C:33]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]>>[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([S:52][CH3:53])[n:8]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23](-[c:28]4[n:29][n:30][n:31][nH:32]4)[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]Participants
3
Sources & evidence
- ORD record
- ord-100574a5eadf4f2cb0b82e21b2ee12a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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