4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile → 3-(4-{2-[4-(1-Methyl-piperidin-4-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-pyrazol-1-yl)-propionitrile

HRID 2147626

반응식

HRID 2147626 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([CH:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12.[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][n:35][n:36]([CH2:38][CH2:39][C:40]#[N:41])[cH:37]2)[O:42]1>>[c:2]1(-[c:33]2[cH:34][n:35][n:36]([CH2:38][CH2:39][C:40]#[N:41])[cH:37]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([CH:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12

참가 물질

3

반응물 2

HCID 569657334-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrileHCID 66711589HCID 66711589, 화합물

생성물 1

HCID 667116823-(4-{2-[4-(1-Methyl-piperidin-4-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-pyrazol-1-yl)-propionitrile

출처 및 근거

ORD 기록
ord-b6215a1b91964ee8bf9cd8e4ff92d7fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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