Hydrochloric Acid → HCID 18538941, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][N:17]([C:18](=[O:19])[CH:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[c:26]2[cH:27][c:28]([Cl:33])[c:29]([Cl:32])[cH:30][cH:31]2)[CH2:12][CH2:13]1.[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[ClH:53].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][n:42]1.[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][N:17]([C:18](=[O:19])[CH:20]2[CH2:21][CH2:22][N:23]([C:35](=[O:34])[c:37]3[cH:38][cH:39][cH:40][cH:41][n:42]3)[CH2:24][CH2:25]2)[c:26]2[cH:27][c:28]([Cl:33])[c:29]([Cl:32])[cH:30][cH:31]2)[CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-043f8eaa7b334c91806b3ac8f92fd65f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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