HRID201721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6372

Chlorodifluoromethane

CHClF2

HCID16028

Tetrabutylammonium

C16H36N+

HCID57815380

未命名化合物

PRODUCTS

生成物

HCID57815443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d057943e1a274b5f9bb53a6b6997b734
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-:37].[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:38][CH2:39][CH2:40][CH2:41][N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[Cl:26][CH:27]([F:28])[F:29].[Na+:20].[O:1]1[CH:2]([CH2:6][n:7]2[c:8](=[O:18])[cH:9][cH:10][c:11]3[n:12][cH:13][c:14]([OH:17])[cH:15][c:16]23)[O:3][CH2:4][CH2:5]1.[OH-:19].[OH2:55]>>[O:1]1[CH:2]([CH2:6][n:7]2[c:8](=[O:18])[cH:9][cH:10][c:11]3[n:12][cH:13][c:14]([O:17][CH:27]([F:28])[F:29])[cH:15][c:16]23)[O:3][CH2:4][CH2:5]1