N-methyl-2-pyrrolidone → 2-[[6-[(2-Chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-yl]amino]-4-methylpentan-1-ol

HRID 105191

Reaction equation

HRID 105191 reaction equation
[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[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]([S:16]([CH3:17])=[O:18])[s:15]3)[cH:19][cH:20]2)[cH:7]1.[NH2:21][CH:22]([CH2:23][OH:24])[CH2:25][CH:26]([CH3:27])[CH3:28]>>[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:21][CH:22]([CH2:23][OH:24])[CH2:25][CH:26]([CH3:27])[CH3:28])[s:15]3)[cH:19][cH:20]2)[cH:7]1

Participants

5

Reactant 4

HCID 13387N-methyl-2-pyrrolidoneHCID 790302-Amino-4-methylpentan-1-olHCID 81531DiisopropylethylamineHCID 577254306-(2-Chloropyridin-4-yloxy)-2-(methylsulfinyl)benzo[d]thiazole

Product 1

HCID 874214292-[[6-[(2-Chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-yl]amino]-4-methylpentan-1-ol

Sources & evidence

ORD record
ord-920c62a5718d4a8fb443e4c22a54fb21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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