HRID2152408

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-

HCID3430779

2-Iodoethyl ether

C4H8I2O

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)CCOCC1

HCID57995665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecb1b800e5b245a9b71db3af9b5ac2d4
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

[Cl-:39].[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].[I:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][I:38].[NH4+:40].[Na+:30].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[Cl:1][c:2]1[cH:3][c:4]([C:24]2([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:33][CH2:34][O:35][CH2:36][CH2:37]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]