Hydrochloric Acid → HCID 9959240, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][c:17]1-[c:18]1[nH:19][c:20]2[cH:21][c:22]([Cl:28])[c:23]([Cl:27])[cH:24][c:25]2[cH:26]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[ClH:29].[NH2:51][CH:52]1[CH2:53][C:54]([CH3:60])([CH3:61])[NH:55][C:56]([CH3:58])([CH3:59])[CH2:57]1.[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:14])[NH:51][CH:52]2[CH2:53][C:54]([CH3:60])([CH3:61])[NH:55][C:56]([CH3:58])([CH3:59])[CH2:57]2)[cH:15][cH:16][c:17]1-[c:18]1[nH:19][c:20]2[cH:21][c:22]([Cl:28])[c:23]([Cl:27])[cH:24][c:25]2[cH:26]1Participants
7
Sources & evidence
- ORD record
- ord-b18e451814324e6a8107f116fef18087
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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