2-Iodo-4-(trifluoromethyl)phenol → 3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

반응식

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

참가 물질

반응물 2

HCID 115728162-Iodo-4-(trifluoromethyl)phenol

HCID 580422543-cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

생성물 1

HCID 594364853-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

출처 및 근거

ORD 기록: ord-d8d7b7ab812f4f418b1f7eea21c32a7b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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