Acetate → 4'-[[[5,6,7,8-Tetrahydro-2-(trifluoromethyl)-4-quinazolinyl]amino]methyl][1,1'-biphenyl]-2-carboxylic acid
Reaction equation
[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH3:34][C:35](=[O:36])[O-:37].[Cl:1][c:2]1[n:3][c:4]([C:12]([F:13])([F:14])[F:15])[n:5][c:6]2[c:11]1[CH2:10][CH2:9][CH2:8][CH2:7]2.[NH2:16][CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25]([C:30](=[O:31])[OH:32])[cH:26][cH:27][cH:28][cH:29]2)[cH:22][cH:23]1.[Na+:33]>>[c:2]1([NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[c:25]([C:30](=[O:31])[OH:32])[cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]2)[n:3][c:4]([C:12]([F:13])([F:14])[F:15])[n:5][c:6]2[c:11]1[CH2:10][CH2:9][CH2:8][CH2:7]2Participants
6
Sources & evidence
- ORD record
- ord-ad304c5fae074dd699f72d04679a10e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…