HRID320863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID12842710

1,5-Dibromo-3,3-dimethylpentane

C7H14Br2

结构：CCOC(=O)Cc1cc(Cl)c(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1

HCID57995666

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(c2cc(Cl)c(OCC(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)c2)CCC(C)(C)CC1

HCID57995618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec238594e7dc4120b0bff674b7a2d659
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

[CH3:32][C:33]([CH2:34][CH2:35][Br:39])([CH2:37][CH2:38][Br:36])[CH3:40].[Cl-:41].[Cl:1][c:2]1[cH:3][c:4]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:5][c:6](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[H-:31].[NH4+:42].[Na+:30].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[Cl:1][c:2]1[cH:3][c:4]([C:24]2([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:35][CH2:34][C:33]([CH3:32])([CH3:40])[CH2:37][CH2:38]2)[cH:5][c:6](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]