2-Chloroethanol → 3-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-(2-hydroxyethyl)azetidine-3-carboxamide

HRID 152715Notes

Reaction equation

HRID 152715 reaction equation
[CH3:48][C:49]#[N:50].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:2][c:3]1[c:4]([F:32])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:30][CH3:31])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH2:28])[CH2:23][NH:24][CH2:25]4)[CH3:29])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1.[ClH:1].[I-:47].[K+:46].[OH:42][CH2:43][CH2:44][Cl:45]>>[Cl:2][c:3]1[c:4]([F:32])[c:5]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:30][CH3:31])[c:17]([CH2:20][N:21]([C:22]4([C:26](=[O:27])[NH2:28])[CH2:23][N:24]([CH2:44][CH2:43][OH:42])[CH2:25]4)[CH3:29])[cH:18][c:19]23)[cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 342-ChloroethanolHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 6342AcetonitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 579798103-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]azetidine-3-carboxamide

Product 1

HCID 579798993-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-(2-hydroxyethyl)azetidine-3-carboxamide

Sources & evidence

ORD record
ord-ddbf5c0cf90f4cf68c1fb29d08994a5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…