Acetic Acid → HCID 21564649, compound
Reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:37][C:38](=[O:39])[OH:40].[Cl:19][c:20]1[cH:21][cH:22][c:23]2[c:35]([cH:36]1)[C:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[N:27][CH2:26][CH:25]=[N:24]2.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[C:7]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)=[N:8][CH2:9][CH2:10][NH:11]2.[SH:41][CH2:42][CH2:43][OH:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[C:7]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)=[N:8][CH2:9][CH:10]([S:41][CH2:42][CH2:43][OH:44])[NH:11]2Participants
6
Sources & evidence
- ORD record
- ord-5361e60795204d91898ec6a51264d9f4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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