Isopropanol → N-(5-chloro-1,3-benzodioxol-4-yl)-5-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

HRID 1228392

반응식

HRID 1228392 반응식
[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH2:24][CH2:25]3)[cH:9][c:10]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:11]12.[Cl:26][c:27]1[cH:28][cH:29][c:30]2[c:31]([c:32]1[NH2:33])[O:34][CH2:35][O:36]2>>[c:2]1([NH:33][c:32]2[c:27]([Cl:26])[cH:28][cH:29][c:30]3[c:31]2[O:34][CH2:35][O:36]3)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH2:24][CH2:25]3)[cH:9][c:10]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:11]12

참가 물질

4

반응물 3

HCID 3776IsopropanolHCID 113672535-Chloro-1,3-benzodioxol-4-amineHCID 221407094-Chloro-5-morpholino-7-(2-pyrrolidin-1-ylethoxy)quinazoline

생성물 1

HCID 11974116N-(5-chloro-1,3-benzodioxol-4-yl)-5-morpholin-4-yl-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine

출처 및 근거

ORD 기록
ord-6238f32255cc44dbbfb91859253da656
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

불러오는 중…