3-[(4-Fluoro-2-methylphenyl)(4-fluorophenyl)methyl]-7-[(methylsulfanyl)methyl]-1H-indole → 3-[(4-Chloro-2-fluorophenyl)(4-fluorophenyl)methyl]-5-fluoro-7-[(methylsulfanyl)methyl]-1H-indole

HRID 686479

반응식

HRID 686479 반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH2:7][CH2:8][OH:9])[c:12]2[cH:13][nH:14][c:15]3[c:16]([CH2:22][S:23][CH3:24])[cH:17][c:18]([F:21])[cH:19][c:20]23)[cH:10][cH:11]1.[Cl:25][c:26]1[cH:27][c:28]([F:41])[c:29]([CH:32]([OH:33])[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[cH:30][cH:31]1.[F:42][c:43]1[cH:44][cH:45][c:46]([CH:47]([c:48]2[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]2)[c:55]2[c:56]3[c:57]([c:58]([CH2:59][S:60][CH3:61])[cH:62][cH:63][cH:64]3)[nH:65][cH:66]2)[c:67]([CH3:68])[cH:69]1>>[c:12]1([CH:32]([c:29]2[c:28]([F:41])[cH:27][c:26]([Cl:25])[cH:31][cH:30]2)[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[cH:13][nH:14][c:15]2[c:16]([CH2:22][S:23][CH3:24])[cH:17][c:18]([F:21])[cH:19][c:20]12

참가 물질

4

반응물 3

HCID 445952363-[(4-Fluoro-2-methylphenyl)(4-fluorophenyl)methyl]-7-[(methylsulfanyl)methyl]-1H-indoleHCID 583922083-(4-Chlorophenyl)-3-{5-fluoro-7-[(methylsulfanyl)methyl]-1H-indol-3-yl}propan-1-olHCID 58392437(4-Chloro-2-fluorophenyl)(4-fluorophenyl)methanol

생성물 1

HCID 445955203-[(4-Chloro-2-fluorophenyl)(4-fluorophenyl)methyl]-5-fluoro-7-[(methylsulfanyl)methyl]-1H-indole

출처 및 근거

ORD 기록
ord-78d539560df749bbaa95ebb119a0a45c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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