Formaldehyde → [2-(3,5-Difluoro-phenyl)-ethyl]-{4-[3-(2-ethyl-4-methyl-piperazin-1-ylmethyl)-phenyl]-pyrimidin-2-yl}-amine

반응식

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

참가 물질

반응물 2

HCID 712Formaldehyde

HCID 58603716HCID 58603716, 화합물

생성물 1

HCID 58603732[2-(3,5-Difluoro-phenyl)-ethyl]-{4-[3-(2-ethyl-4-methyl-piperazin-1-ylmethyl)-phenyl]-pyrimidin-2-yl}-amine

출처 및 근거

ORD 기록: ord-3bf15cb9b9284dc88f84a5599b11b69a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…