HRID314566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID67602

1-Bromo-3,5-bis(trifluoromethyl)benzene

C8H3BrF6

HCID11084692

2,4-dimethyl-3-chloroquinoline

C11H10ClN

HCID178506228

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2c(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID22721472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e0338c25a1a48bfa7aa461944f92f0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:19].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:6][c:7]1[n:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]([CH3:18])[c:16]1[Cl:17].[F:20][C:21]([c:22]1[cH:23][c:24]([Mg+:32])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:33])[F:34].[F:35][C:36]([F:37])([F:38])[c:39]1[cH:40][c:41]([Br:42])[cH:43][c:44]([C:45]([F:46])([F:47])[F:48])[cH:49]1.[OH2:50]>>[CH3:6][c:7]1[n:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]([CH3:18])[c:16]1-[c:24]1[cH:23][c:22]([C:21]([F:20])([F:33])[F:34])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]1