1-(2-Hydroxyethyl)piperazine → 1-(5-tert-Butylisoxazol-3-yl)-3-(3-(7-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)-6-methoxyquinazolin-4-yloxy)phenyl)urea

HRID 2157183Notes

Reaction equation

HRID 2157183 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]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH2:35][Cl:36])[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[N:37]1([CH2:43][CH2:44][OH:45])[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]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]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH2:35][N:40]5[CH2:39][CH2:38][N:37]([CH2:43][CH2:44][OH:45])[CH2:42][CH2:41]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 76771-(2-Hydroxyethyl)piperazineHCID 668765301-(5-Tert-butyl-isoxazol-3-yl)-3-{3-[7-(2-chloro-ethoxy)-6-methoxy-quinazolin-4-yloxy]-phenyl}-urea

Product 1

HCID 442433051-(5-tert-Butylisoxazol-3-yl)-3-(3-(7-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)-6-methoxyquinazolin-4-yloxy)phenyl)urea

Sources & evidence

ORD record
ord-f0744107f17b4b88bd9bdc8f4c8ca97e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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