Bicarbonate Ion → HCID 58179868, compound

HRID 669438Notes

Reaction equation

HRID 669438 reaction equation
[Br:29][c:30]1[cH:31][c:32](-[c:37]2[n:38][n:39][n:40][n:41]2-[c:42]2[c:43]([F:49])[c:44]([F:48])[cH:45][cH:46][cH:47]2)[c:33]([NH2:36])[n:34][cH:35]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:15][CH2:14][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:12][CH2:11][CH2:10]2)[O:23]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:28].[O-:24][C:25]([OH:26])=[O:27]>>[C:9]1([c:30]2[cH:31][c:32](-[c:37]3[n:38][n:39][n:40][n:41]3-[c:42]3[c:43]([F:49])[c:44]([F:48])[cH:45][cH:46][cH:47]3)[c:33]([NH2:36])[n:34][cH:35]2)=[CH:15][CH2:14][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:12][CH2:11][CH2:10]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 247624635-bromo-3-(1-(2,3-difluorophenyl)-1H-tetrazol-5-yl)pyridin-2-amineHCID 581796955-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester

Product 1

HCID 58179868HCID 58179868, compound

Sources & evidence

ORD record
ord-a7a23f70db434d68a0ed504a0273eb77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…