4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile → 2-[4-(4-{7-[1-(2-Cyano-ethyl)-1H-pyrazol-4-yl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperidin-1-yl]-acetamide

HRID 1147715

반응식

HRID 1147715 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]([CH2:24][C:25](=[O:26])[NH2:27])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12.[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][n:38][n:39]([CH2:41][CH2:42][C:43]#[N:44])[cH:40]2)[O:45]1>>[c:2]1(-[c:36]2[cH:37][n:38][n:39]([CH2:41][CH2:42][C:43]#[N:44])[cH:40]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]([CH2:24][C:25](=[O:26])[NH2:27])[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 667107962-{4-[4-(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino)-phenyl]-piperidin-1-yl}-acetamide

생성물 1

HCID 667121512-[4-(4-{7-[1-(2-Cyano-ethyl)-1H-pyrazol-4-yl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperidin-1-yl]-acetamide

출처 및 근거

ORD 기록
ord-0ebd226f7239451296e90d44f7e69e27
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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