Bicarbonate Ion → 18-[4-(4'-Chloro-4-methoxybiphenyl-2-ylmethoxy)phenyl]-17-cyclohexyl-1,4,11-triazatricyclo[11.5.2.016,19]icosa-13(20),14,16(19),17-tetraene-3,12-dione
Reaction equation
[Br:6][c:7]1[c:8]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([CH:39]4[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]4)[c:19]4[cH:20][cH:21][c:22]5[cH:36][c:35]4[n:34]3[CH2:33][C:32](=[O:37])[NH:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][NH:24][C:23]5=[O:38])[cH:15][cH:16]2)[cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]1.[CH2:61]([CH2:62][O:63][CH3:64])[O:65][CH3:66].[Cl:51][c:52]1[cH:53][cH:54][c:55]([B:58]([OH:59])[OH:60])[cH:56][cH:57]1.[Na+:5].[O-:1][C:2]([OH:3])=[O:4]>>[c:7]1(-[c:55]2[cH:54][cH:53][c:52]([Cl:51])[cH:57][cH:56]2)[c:8]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([CH:39]4[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]4)[c:19]4[cH:20][cH:21][c:22]5[cH:36][c:35]4[n:34]3[CH2:33][C:32](=[O:37])[NH:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][NH:24][C:23]5=[O:38])[cH:15][cH:16]2)[cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f76aa3245d294addb00c40c8d897d0f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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