Acetic Acid → 5-[[5-[[3,5-Bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]methyl]thiophene-2-carboxylic acid
Reaction equation
[CH3:47][C:48](=[O:49])[OH:50].[CH:37](=[O:38])[c:39]1[cH:40][cH:41][c:42]([C:44](=[O:45])[OH:46])[s:43]1.[Cl:51][CH2:52][Cl:53].[Cl:54][CH:55]([Cl:56])[CH3:57].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH:14]2[CH2:15][CH2:16][CH2:17][NH:18][c:19]3[c:20]2[cH:21][c:22]2[c:26]([cH:27]3)[CH2:25][O:24][CH2:23]2)[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH:14]2[CH2:15][CH2:16][CH2:17][N:18]([CH2:37][c:39]3[cH:40][cH:41][c:42]([C:44](=[O:45])[OH:46])[s:43]3)[c:19]3[c:20]2[cH:21][c:22]2[c:26]([cH:27]3)[CH2:25][O:24][CH2:23]2)[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-87a47d23297c493ba001a1556f09c8e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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