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Trifluoroacetic acid → 6-chloro-4'-(3-chlorophenyl)-1'-[3-(1,1-dioxo-thiomorpholin-4-yl)-propyl]-2'-(5-fluoro-2-methylphenyl)-spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione

HRID 2342309
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HRID 2342309 반응식
[CH3:1][O:2][CH:3]([Si:4]([CH3:5])([CH3:6])[CH3:7])[CH3:8].[Cl:9][c:10]1[cH:11][cH:12][c:13]2[c:17]([cH:18]1)[NH:16][C:15](=[O:19])[C:14]21[CH:20]([c:37]2[c:38]([CH3:44])[cH:39][cH:40][c:41]([F:43])[cH:42]2)[N:21]([CH2:33][CH2:34][CH2:35][Cl:36])[C:22](=[O:32])[CH2:23][CH:24]1[c:25]1[cH:26][c:27]([Cl:31])[cH:28][cH:29][cH:30]1.[OH:53][C:54]([C:55]([F:56])([F:57])[F:58])=[O:59].[S:45]1(=[O:51])(=[O:52])[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1>>[Cl:9][c:10]1[cH:11][cH:12][c:13]2[c:17]([cH:18]1)[NH:16][C:15](=[O:19])[C:14]21[CH:20]([c:37]2[c:38]([CH3:44])[cH:39][cH:40][c:41]([F:43])[cH:42]2)[N:21]([CH2:33][CH2:34][CH2:35][N:48]2[CH2:47][CH2:46][S:45](=[O:51])(=[O:52])[CH2:50][CH2:49]2)[C:22](=[O:32])[CH2:23][CH:24]1[c:25]1[cH:26][c:27]([Cl:31])[cH:28][cH:29][cH:30]1
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5

반응물 4

HCID 6422Trifluoroacetic acidHCID 6484228Thiomorpholine 1,1-dioxideHCID 22400412(1-Methoxyethyl)(trimethyl)silaneHCID 775807896-chloro-4'-(3-chlorophenyl)-1'-(3-chloropropyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

생성물 1

HCID 74370459
6-chloro-4'-(3-chlorophenyl)-1'-[3-(1,1-dioxo-thiomorpholin-4-yl)-propyl]-2'-(5-fluoro-2-methylphenyl)-spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione

출처 및 근거

ORD 기록
ord-3d56128435eb472282afd377b546269f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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