Sodium ion → HCID 67241889, compound

HRID 1119182Notes

Reaction equation

HRID 1119182 reaction equation
[Br:16][c:17]1[cH:18][c:19]2[c:20]([cH:21][cH:22]1)[O:23][c:24]1[cH:25][cH:26][c:27]([I:40])[cH:28][c:29]1[C:30]21[N:31]=[C:32]([NH:35][C:36]([CH3:37])([CH3:38])[CH3:39])[S:33][CH2:34]1.[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:53].[n:7]1[cH:8][n:9][cH:10][c:11]([B:13]([OH:14])[OH:15])[cH:12]1>>[n:7]1[cH:8][n:9][cH:10][c:11](-[c:27]2[cH:26][cH:25][c:24]3[c:29]([cH:28]2)[C:30]2([c:19]4[cH:18][c:17]([Br:16])[cH:22][cH:21][c:20]4[O:23]3)[N:31]=[C:32]([NH:35][C:36]([CH3:37])([CH3:38])[CH3:39])[S:33][CH2:34]2)[cH:12]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2795193(Pyrimidin-5-yl)boronic acidHCID 67241916HCID 67241916, compound

Product 1

HCID 67241889HCID 67241889, compound

Sources & evidence

ORD record
ord-becd7d9bc1b3449ca8e36167d9496789
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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