Acetic Acid → HCID 58894085, compound
Reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH:2]([CH3:3])([CH2:4][CH3:5])[NH:6][c:7]1[n:8][c:9]([C:22]#[N:23])[n:10][c:11]([Cl:21])[c:12]1-[c:13]1[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]1[F:19].[OH2:24].[SH2:1]>>[S:1]=[C:22]([c:9]1[n:8][c:7]([NH:6][CH:2]([CH3:3])[CH2:4][CH3:5])[c:12](-[c:13]2[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]2[F:19])[c:11]([Cl:21])[n:10]1)[NH2:23]Participants
7
Sources & evidence
- ORD record
- ord-84e8f65397bb457eb11a1a672533740d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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