Bicarbonate Ion → N-(7-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

HRID 1541628Notes

Reaction equation

HRID 1541628 reaction equation
[CH3:44][OH:45].[Cl:1][c:2]1[cH:3][c:4]([NH:12][C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:18][cH:19]2)=[O:24])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:11])[cH:10]2.[Na+:43].[O-:39][C:40]([OH:41])=[O:42].[O:25]1[c:26]2[c:27]([cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]2)[O:28][CH2:29][CH2:30][CH2:31]1>>[c:2]1(-[c:33]2[cH:32][c:27]3[c:26]([cH:35][cH:34]2)[O:25][CH2:31][CH2:30][CH2:29][O:28]3)[cH:3][c:4]([NH:12][C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:18][cH:19]2)=[O:24])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:11])[cH:10]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 27763983,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acidHCID 86652267N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

Product 1

HCID 67064552N-(7-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

Sources & evidence

ORD record
ord-8957b212115d40e89baf19ef8b8057a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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