Acetic Acid → HCID 22036878, compound
Reaction equation
[CH3:29][C:30]([OH:31])=[O:32].[CH:33]1([N:34]=[C:35]=[N:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[CH:48]([Cl:49])([Cl:50])[Cl:51].[NH2:1][c:2]1[n:3][c:4]2[c:5]([n:6]1-[c:7]1[n:8][c:9]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]1)[cH:25][cH:26][cH:27][cH:28]2.[OH2:52]>>[NH:1]([c:2]1[n:3][c:4]2[c:5]([n:6]1-[c:7]1[n:8][c:9]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]1)[cH:25][cH:26][cH:27][cH:28]2)[C:30]([CH3:29])=[O:31]Participants
6
Sources & evidence
- ORD record
- ord-fbe9a260683841e88f4328ecb7c8871f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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