3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole → 1-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-pyrrolidinone

반응식

[F:15][C:16]([c:17]1[n:18][nH:19][c:20]2[c:25]1[CH2:24][CH2:23][CH2:22][CH2:21]2)([F:26])[F:27].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]2[C:10](=[O:14])[CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1>>[c:2]1(-[n:19]2[n:18][c:17]([C:16]([F:15])([F:26])[F:27])[c:25]3[c:20]2[CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:3][cH:4][c:5]([CH2:8][N:9]2[C:10](=[O:14])[CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 28028633-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

HCID 509928621-(4-Iodobenzyl)pyrrolidin-2-one

생성물 1

HCID 248259051-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-pyrrolidinone

출처 및 근거

ORD 기록: ord-4757558cf16e463b8fb7f87ffc0c4d7a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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