Hydrochloric Acid → Hydrochloric Acid
Reaction equation
[C:37]([c:38]1[nH:39][cH:40][cH:41][n:42]1)([c:43]1[nH:44][cH:45][cH:46][n:47]1)=[O:48].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[n:10][cH:11][c:12]2[cH:13][c:14]([NH:18][c:19]3[c:20]4[c:21]([n:22][cH:23][n:24]3)[cH:25][n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]([C:34](=[O:35])[OH:36])[o:33]3)[cH:28]4)[cH:15][cH:16][c:17]12.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:50][S:51](=[O:52])(=[O:53])[CH2:54][CH2:55][NH2:56].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:69][OH:70].[ClH:1].[ClH:49]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[n:10][cH:11][c:12]2[cH:13][c:14]([NH:18][c:19]3[c:20]4[c:21]([n:22][cH:23][n:24]3)[cH:25][n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]([C:34](=[O:36])[NH:56][CH2:55][CH2:54][S:51]([CH3:50])(=[O:52])=[O:53])[o:33]3)[cH:28]4)[cH:15][cH:16][c:17]12.[ClH:1]Participants
9
Sources & evidence
- ORD record
- ord-27b230e1e55747ed901b6fc9d3b52634
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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