HRID1150372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2736551

1-(bromomethyl)-4-chloro-2-fluorobenzene

C7H5BrClF

结构：COC(=O)c1c(C)nc2[nH]ccc2c1-c1ccc(C)cc1

HCID71209360

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C)nc2c(ccn2Cc2ccc(Cl)cc2F)c1-c1ccc(C)cc1

HCID71209420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4be4aad42f1d4c5cb8e07dd2277c418c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:22](=[O:23])([O-:24])[O-:25].[CH3:1][c:2]1[c:3]([C:18](=[O:19])[O:20][CH3:21])[c:4](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl-:38].[Cl:28][c:29]1[cH:30][c:31]([F:37])[c:32]([CH2:33][Br:34])[cH:35][cH:36]1.[Cs+:26].[Cs+:27].[NH4+:39]>>[CH3:1][c:2]1[c:3]([C:18](=[O:19])[O:20][CH3:21])[c:4](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:5]2[c:6]([n:7]1)[n:8]([CH2:33][c:32]1[c:31]([F:37])[cH:30][c:29]([Cl:28])[cH:36][cH:35]1)[cH:9][cH:10]2