HRID179912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10614

Benzhydrylbenzene

C19H16

HCID166653

Hydride

H-

HCID178422425

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Br)cc2c(-c3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c12

HCID22260740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81ab25d150ce422cb53fe28a0ed503bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:12]3[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]3)[n:6][nH:7][c:8]2[c:9]([CH3:11])[cH:10]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl-:21].[H-:19].[Na+:20].[OH2:41].[c:22]1([CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:12]3[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]3)[n:6][n:7]([C:28]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:8]2[c:9]([CH3:11])[cH:10]1