Chloride → HCID 75629889, compound

HRID 1222804Notes

Reaction equation

HRID 1222804 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:23][NH:24][C:25](=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:32][cH:33]1.[Cl-:48].[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][CH:13]1[CH2:14][CH2:15]1)[C:7](=[O:16])[C:6]1([CH3:22])[N:5]2[CH2:20][CH2:19][O:18][CH:17]1[CH3:21].[Na+:47].[Na+:49].[O-:43][C:44]([OH:45])=[O:46]>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([NH:27][C:25]([NH:24][CH3:23])=[O:26])[cH:33][cH:32]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][CH:13]1[CH2:14][CH2:15]1)[C:7](=[O:16])[C:6]1([CH3:22])[N:5]2[CH2:20][CH2:19][O:18][CH:17]1[CH3:21]

Participants

7

Reactant 6

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 312751,4-DioxaneHCID 177502733-Methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaHCID 178434891HCID 178434891, compound

Product 1

HCID 75629889HCID 75629889, compound

Sources & evidence

ORD record
ord-931d822c13ac46de9c96235b743ad4e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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