Hydrochloric Acid → HCID 54229242, compound
Reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]=[CH:11][C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[N:18]([CH3:19])[c:20]2[c:21]([Cl:41])[c:22]([CH2:23][O:24][c:25]3[cH:26][cH:27][cH:28][c:29]4[n:30]([CH3:36])[c:31]([O:34][CH3:35])[n:32][c:33]34)[c:37]([Cl:40])[cH:38][cH:39]2)[cH:8][n:9]1.[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[ClH:49].[NH2:42][c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1.[OH2:76].[OH:61][n:62]1[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[C:1](=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH:10]=[CH:11][C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[N:18]([CH3:19])[c:20]2[c:21]([Cl:41])[c:22]([CH2:23][O:24][c:25]3[cH:26][cH:27][cH:28][c:29]4[n:30]([CH3:36])[c:31]([O:34][CH3:35])[n:32][c:33]34)[c:37]([Cl:40])[cH:38][cH:39]2)[cH:8][n:9]1)[NH:42][c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1Participants
8
Sources & evidence
- ORD record
- ord-a5b57d3d645544e3ba39ecbb0f786f97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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