Sodium ion → 4-Methyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]pentan-1-ol

HRID 2126809

Reaction equation

HRID 2126809 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:26][n:27]1[n:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1.[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:16][CH:17]([CH2:18][OH:19])[CH2:20][CH:21]([CH3:22])[CH3:23])[s:15]3)[cH:24][cH:25]2)[cH:7]1.[Na+:45].[Na+:46]>>[c:2]1(-[c:30]2[cH:29][n:28][n:27]([CH3:26])[cH:31]2)[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:16][CH:17]([CH2:18][OH:19])[CH2:20][CH:21]([CH3:22])[CH3:23])[s:15]3)[cH:24][cH:25]2)[cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 874214292-[[6-[(2-Chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-yl]amino]-4-methylpentan-1-ol

Product 1

HCID 874212834-Methyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]pentan-1-ol

Sources & evidence

ORD record
ord-98a59f4e51274221b0d191f7172d47dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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