N-methyl-2-pyrrolidone → [1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-yl]-[4-(2-fluoro-phenyl)-quinazolin-2-yl]-amine

반응식

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

참가 물질

반응물 3

HCID 13387N-methyl-2-pyrrolidone

HCID 392574451-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylamine

HCID 860461424-(2-Fluorophenyl)-2-Chloro-quinazoline

생성물 1

HCID 68782193[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-yl]-[4-(2-fluoro-phenyl)-quinazolin-2-yl]-amine

출처 및 근거

ORD 기록: ord-b309977418b64d369ea6b9642821bb0d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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