Bicarbonate Ion → 3-(6-{7-[2-(1-tert-Butoxycarbonyl-pyrrolidin-2-yl)-3H-imidazol-4-yl]-9,10-dihydro-phenanthren-2-yl]-1H-benzoimidazol-2-yl)-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][c:20]4[c:29]([cH:30][cH:31]3)-[c:28]3[c:23]([cH:24][c:25]([Br:32])[cH:26][cH:27]3)[CH2:22][CH2:21]4)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1.[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH:41]2[CH2:42][CH2:43][CH:44]([CH:45]1[c:46]1[n:47][c:48]3[c:49]([nH:50]1)[cH:51][c:52]([B:55]1[O:56][C:57]([CH3:58])([CH3:59])[C:60]([CH3:61])([CH3:62])[O:63]1)[cH:53][cH:54]3)[CH2:64]2.[CH3:70][O:71][CH2:72][CH2:73][O:74][CH3:75].[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[OH2:76]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][c:20]4[c:29]([cH:30][cH:31]3)-[c:28]3[c:23]([cH:24][c:25](-[c:52]5[cH:51][c:49]6[c:48]([n:47][c:46]([CH:45]7[N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH:41]8[CH2:42][CH2:43][CH:44]7[CH2:64]8)[nH:50]6)[cH:54][cH:53]5)[cH:26][cH:27]3)[CH2:22][CH2:21]4)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1Participants
7
Reactant 6
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 66620440(1R,3S,4S)-3-[6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-dimethylethyl ester
HCID 666209942-[5-(7-bromo-9,10-dihydro-phenanthren-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl esterProduct 1
Sources & evidence
- ORD record
- ord-be9fb2192ab54464aa48b46901c644e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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