3-Aminocyclopentanol → 1-{4-[4-Amino-5-(2-benzyl-2H-indazol-6-yl)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzyl}-pyrrolidin-3-ol

반응식

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

참가 물질

반응물 2

HCID 142993103-Aminocyclopentanol

HCID 693032915-(2-benzyl-2H-indazol-6-yl)-7-(4-bromomethyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamine

생성물 1

HCID 585294301-{4-[4-Amino-5-(2-benzyl-2H-indazol-6-yl)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzyl}-pyrrolidin-3-ol

출처 및 근거

ORD 기록: ord-6b3ea98950d549369653af2108e7c578
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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