Hydrochloric Acid → Hydrochloric Acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][cH:8][c:9]2[c:10]1[NH:11][C:12]1=[C:17]([C:16](=[O:39])[CH2:15][N:14]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:13]1)[CH:18]2[c:19]1[o:20][c:21]([S:24][c:25]2[n:26][c:27]3[c:28]([nH:29]2)[cH:30][cH:31][c:32]([O:34][C:35]([F:36])([F:37])[F:38])[cH:33]3)[cH:22][cH:23]1.[ClH:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][cH:8][c:9]2[c:10]1[NH:11][C:12]1=[C:17]([C:16](=[O:39])[CH2:15][NH:14][CH2:13]1)[CH:18]2[c:19]1[o:20][c:21]([S:24][c:25]2[n:26][c:27]3[c:28]([nH:29]2)[cH:30][cH:31][c:32]([O:34][C:35]([F:36])([F:37])[F:38])[cH:33]3)[cH:22][cH:23]1.[ClH:45]Participants
5
Sources & evidence
- ORD record
- ord-acf37ac4cc954696a47ee125a1190cf6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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