查数据/反应详情

HRID92868

反应详情

EQUATION

反应方程式

HRID 92868 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)c1ccc(S)cc1

4-tert-Butylbenzenethiol

C10H14S

结构：COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(CCl)c1CC(C)C

未命名化合物

PRODUCTS

生成物

1

结构：COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(CSc2ccc(C(C)(C)C)cc2)c1CC(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62279c4fa1534a968ac553a2e45b7bc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[cH:29][cH:30][c:31]([SH:34])[cH:32][cH:33]1.[Cl:1][CH2:2][c:3]1[c:4]([CH2:20][CH:21]([CH3:22])[CH3:23])[c:5]([C:16](=[O:17])[O:18][CH3:19])[c:6]([CH:13]([F:14])[F:15])[n:7][c:8]1[C:9]([F:10])([F:11])[F:12]>>[CH2:2]([c:3]1[c:4]([CH2:20][CH:21]([CH3:22])[CH3:23])[c:5]([C:16](=[O:17])[O:18][CH3:19])[c:6]([CH:13]([F:14])[F:15])[n:7][c:8]1[C:9]([F:10])([F:11])[F:12])[S:34][c:31]1[cH:30][cH:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][cH:32]1

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