Ethanol → N-[6-(6-chloro-2-methoxy-pyrimidin-4-yl)-benzothiazol-2-yl]-acetamide

HRID 96897Notes

Reaction equation

HRID 96897 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH2:39]([CH2:40][O:41][CH3:42])[O:43][CH3:44].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:16][C:17]([CH3:18])=[O:19])[s:15]3)[cH:20][cH:21]2)[O:22]1.[CH3:23][O:24][c:25]1[n:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[n:30]1.[CH3:46][CH2:47][OH:48].[Na+:37].[Na+:38].[OH2:45]>>[c:9]1(-[c:29]2[cH:28][c:27]([Cl:32])[n:26][c:25]([O:24][CH3:23])[n:30]2)[cH:10][c:11]2[c:12]([n:13][c:14]([NH:16][C:17]([CH3:18])=[O:19])[s:15]2)[cH:20][cH:21]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 120521604,6-Dichloro-2-methoxypyrimidineHCID 51354026n-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)acetamide

Product 1

HCID 86240110N-[6-(6-chloro-2-methoxy-pyrimidin-4-yl)-benzothiazol-2-yl]-acetamide

Sources & evidence

ORD record
ord-53d3e3cc3222460e98601133b2bb7728
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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