4-Piperidinemethanol → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(7-(3-(4-(hydroxymethyl)piperidin-1-yl)propoxy)-6-methoxyquinazolin-4-ylthio)phenyl)urea

HRID 213952Notes

Reaction equation

HRID 213952 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([S:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH2:35][CH2:36][Cl:37])[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[NH:38]1[CH2:39][CH2:40][CH:41]([CH2:44][OH:45])[CH2:42][CH2:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([S:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH2:35][CH2:36][N:38]5[CH2:39][CH2:40][CH:41]([CH2:44][OH:45])[CH2:42][CH2:43]5)[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1

Participants

3

Reactant 2

HCID 4207714-PiperidinemethanolHCID 668758131-(5-Tert-butyl-isoxazol-3-yl)-3-{3-[7-(3-chloro-propoxy)-6-methoxy-quinazolin-4-ylsulfanyl]-phenyl}-urea

Product 1

HCID 442433521-(5-Tert-butylisoxazol-3-yl)-3-(3-(7-(3-(4-(hydroxymethyl)piperidin-1-yl)propoxy)-6-methoxyquinazolin-4-ylthio)phenyl)urea

Sources & evidence

ORD record
ord-2d0ca45e290a441caf983eeaaf1bec96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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