1,4-Dioxane → 8-bromo-N-(2-chlorophenyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carbothioamide

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:25]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[NH:17][c:18]2[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]2)[cH:14]1.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([P:32]2(=[S:35])[S:33][P:34]([c:36]3[cH:37][cH:38][c:39]([O:40][CH3:41])[cH:42][cH:43]3)(=[S:44])[S:45]2)[cH:46][cH:47]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:25]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15]([NH:17][c:18]2[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]2)=[S:35])[cH:14]1

참가 물질

반응물 3

HCID 312751,4-Dioxane

HCID 87949Lawesson's reagent

HCID 579001598-bromo-N-(2-chlorophenyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

생성물 1

HCID 579001868-bromo-N-(2-chlorophenyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carbothioamide

출처 및 근거

ORD 기록: ord-0b5b0707c0044eda84974ecd6c495453
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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