Hydrochloric Acid → HCID 86753452, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][c:11]1[c:12](-[c:23]2[cH:24][c:25]([Cl:30])[cH:26][c:27]([Cl:29])[cH:28]2)[nH:13][c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][c:19]12)[CH2:31][CH2:32][CH2:33][CH2:34][c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1.[CH2:63]([CH3:64])[NH:65][CH2:66][CH3:67].[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62].[ClH:51].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][c:11]1[c:12](-[c:23]2[cH:24][c:25]([Cl:30])[cH:26][c:27]([Cl:29])[cH:28]2)[nH:13][c:14]2[cH:15][cH:16][c:17]([C:20](=[O:22])[N:65]([CH2:63][CH3:64])[CH2:66][CH3:67])[cH:18][c:19]12)[CH2:31][CH2:32][CH2:33][CH2:34][c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1Participants
6
Sources & evidence
- ORD record
- ord-24aee992539e42859e8ba7c972df24ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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