HRID110156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

结构：O=C1Nc2ccc(Cl)cc2C(O)(c2ccc(Br)cc2)N1CC(F)(F)F

HCID59346596

未命名化合物

HCID178507030

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2ccc(Cl)cc2C(c2ccc(Br)cc2)(C2CC2)N1CC(F)(F)F

HCID11854070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb127d768ae940b9ab616dbe9390d228
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

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