O-Xylene → 2,5-Dihydro-2,5-dimethyl-N-(4-fluoro-phenyl)-4-hydroxy-1,2-thiazino[5,6-b]indole-3-carboxamide-1,1-dioxide

반응식

[CH3:1][N:2]1[S:3](=[O:24])(=[O:25])[c:4]2[c:5]([n:6]([CH3:13])[c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C:14]([OH:23])=[C:15]1[C:16](=[O:17])[O:18][CH2:19][CH2:20][CH2:21][CH3:22].[F:26][c:27]1[cH:28][cH:29][c:30]([NH2:31])[cH:32][cH:33]1.[c:34]1([CH3:35])[c:36]([CH3:37])[cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][N:2]1[S:3](=[O:24])(=[O:25])[c:4]2[c:5]([n:6]([CH3:13])[c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C:14]([OH:23])=[C:15]1[C:16](=[O:17])[NH:31][c:30]1[cH:29][cH:28][c:27]([F:26])[cH:33][cH:32]1

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 97314-Fluoroaniline

HCID 54684961n-Butyl 2,5-dihydro-2,5-dimethyl-4-hydroxy-1,2-thiazino[5,6-b]indole-3-carboxylate-1,1-dioxide

생성물 1

HCID 546849852,5-Dihydro-2,5-dimethyl-N-(4-fluoro-phenyl)-4-hydroxy-1,2-thiazino[5,6-b]indole-3-carboxamide-1,1-dioxide

출처 및 근거

ORD 기록: ord-978ded6305274fbd99824f27c2474544
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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