Acetic Acid → HCID 19975548, compound
Reaction equation
[CH2:51]([Cl:52])[Cl:53].[CH3:1][C:2]1([CH3:22])[CH2:3][CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]3[n:15][cH:16][c:17]([CH2:20][OH:21])[cH:18][cH:19]3)[cH:10][c:11]21.[CH3:23][C:24]([OH:25])=[O:26].[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[CH:27]1([N:28]=[C:29]=[N:30][CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1>>[CH3:1][C:2]1([CH3:22])[CH2:3][CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]3[n:15][cH:16][c:17]([CH2:20][O:21][C:24]([CH3:23])=[O:25])[cH:18][cH:19]3)[cH:10][c:11]21Participants
6
Sources & evidence
- ORD record
- ord-dfb2ee2c8eb64a8f990e789ecf6b1a38
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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