HRID1232793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(Br)c(F)c3)c2CC1

HCID57656268

未命名化合物

HCID178445877

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCc1ccc(CSc2c(Cl)ccc3c2CCN(C(=O)OC(C)(C)C)CC3)cc1F

HCID66706557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba73c9d20211453c931268ad91e2a02e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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