HRID2129021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID24813

Phosphoric trichloride

Cl3OP

HCID66737

Formamide, N-methyl-N-phenyl-

C8H9NO

结构：CCOC(=O)c1cc2cc(F)ccc2n1Cc1cccc2ccccc12

HCID68578393

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C=O)c2cc(F)ccc2n1Cc1cccc2ccccc12

HCID86613189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d49a26596fc4d008efd3368a1545721
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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