Bicarbonate Ion → HCID 66769561, compound

HRID 207700Notes

Reaction equation

HRID 207700 reaction equation
[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][n:17][c:18]([CH:20]4[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]4)[nH:19]3)[cH:13][cH:14]2)[O:32]1.[CH3:70][O:71][CH2:72][CH2:73][O:74][CH3:75].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[Cl:33][c:34]1[n:35][cH:36][c:37](-[c:40]2[cH:41][n:42][c:43]([CH:53]3[N:54]([C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[CH2:55][CH2:56][CH2:57]3)[n:44]2[CH2:45][O:46][CH2:47][CH2:48][Si:49]([CH3:50])([CH3:51])[CH3:52])[cH:38][n:39]1.[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[OH2:82]>>[c:9]1(-[c:34]2[n:35][cH:36][c:37](-[c:40]3[cH:41][n:42][c:43]([CH:53]4[N:54]([C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[CH2:55][CH2:56][CH2:57]4)[n:44]3[CH2:45][O:46][CH2:47][CH2:48][Si:49]([CH3:50])([CH3:51])[CH3:52])[cH:38][n:39]2)[cH:10][cH:11][c:12](-[c:15]2[cH:16][n:17][c:18]([CH:20]3[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]3)[nH:19]2)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 574497592-{4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]-1h-imidazol-2-yl}pyrrolidine-1-carboxylic acid tert-butyl esterHCID 72236071HCID 72236071, compound

Product 1

HCID 66769561HCID 66769561, compound

Sources & evidence

ORD record
ord-50bb859076a0422684394f04b3e96a9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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