Sodium ion → HCID 59198493, compound

HRID 184435Notes

Reaction equation

HRID 184435 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[c:8]1[c:9]([NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[n:10][cH:11][c:12]([C:15]#[N:16])[c:13]1[s:14]2.[C:41](=[O:42])([O-:43])[O-:44].[CH2:27]([OH:28])[CH2:29][CH2:30][OH:31].[Na+:45].[Na+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[n:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1>>[c:2]1(-[c:34]2[cH:33][n:32][cH:37][cH:36][cH:35]2)[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[c:8]1[c:9]([NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[n:10][cH:11][c:12]([C:15]#[N:16])[c:13]1[s:14]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 104421,3-PropanediolHCID 19660Carbonate IonHCID 27343783-Pyridinylboronic acidHCID 591984657-Bromo-1-[(4-methoxybenzyl)amino][1]benzothieno[3,2-c]pyridine-4-carbonitrile

Product 1

HCID 59198493HCID 59198493, compound

Sources & evidence

ORD record
ord-fbc7cac9d2f143d3a8a31a71e7bf64e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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