Bicarbonate Ion → [1-(2-{5-[4-(4-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-1-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([Br:31])[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]34)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:32].[CH3:33][O:34][C:35]([NH:36][CH:37]([CH:38]([CH3:39])[CH3:40])[C:41](=[O:42])[N:43]1[CH:44]([c:48]2[nH:49][c:50](-[c:53]3[cH:54][cH:55][c:56]([B:59]4[O:60][C:61]([CH3:62])([CH3:63])[C:64]([CH3:65])([CH3:66])[O:67]4)[cH:57][cH:58]3)[cH:51][n:52]2)[CH2:45][CH2:46][CH2:47]1)=[O:68].[CH3:74][O:75][CH2:76][CH2:77][O:78][CH3:79].[Na+:73].[O-:69][C:70]([OH:71])=[O:72].[OH2:80]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24](-[c:56]4[cH:55][cH:54][c:53](-[c:50]5[nH:49][c:48]([CH:44]6[N:43]([C:41]([CH:37]([NH:36][C:35]([O:34][CH3:33])=[O:68])[CH:38]([CH3:39])[CH3:40])=[O:42])[CH2:47][CH2:46][CH2:45]6)[n:52][cH:51]5)[cH:58][cH:57]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]34)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:32]Participants
7
Reactant 6
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 66619939[2-Methyl-1-(2-{4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl ester
HCID 66620068(1-{2-[5-(4-bromo-naphthalen-1-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl esterProduct 1
Sources & evidence
- ORD record
- ord-508ed08a5dcd42679f72b887d84b3e67
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…