Hydrochloric Acid → HCID 17825669, compound
Reaction equation
[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[N:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[Cl:61][CH2:62][Cl:63].[ClH:51].[OH2:50].[c:1]1([CH:7]([CH2:8][CH2:9][O:10][C:11](=[O:12])[C:13]2=[C:14]([CH3:30])[NH:15][C:16]([CH3:29])=[C:17]([C:26](=[O:27])[OH:28])[CH:18]2[c:19]2[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][CH2:9][O:10][C:11](=[O:12])[C:13]2=[C:14]([CH3:30])[NH:15][C:16]([CH3:29])=[C:17]([C:26](=[O:27])[N:47]3[CH2:46][CH2:45][N:44]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH2:49][CH2:48]3)[CH:18]2[c:19]2[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-e6bdf871ae934f90997ffcfa658e5002
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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