Hydrochloric Acid → Gsk-554418A
Reaction equation
[CH2:32]([CH3:33])[N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH2:52]1[NH:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][cH:11][c:12]([C:19](=[O:20])[OH:21])[c:13]3[c:14]2[cH:15][cH:16][n:17]3[CH3:18])[cH:5][cH:6][cH:7]1.[ClH:40].[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][cH:11][c:12]([C:19](=[O:20])[N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[c:13]3[c:14]2[cH:15][cH:16][n:17]3[CH3:18])[cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-699d997209294372a46e58e92e99df29
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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