HRID1564288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1

HCID59134573

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)Oc1ccc([N+](=O)[O-])cc1

HCID66934387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b0a21ac44c647228e6a1e1ba8595b8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:34]([O:35][c:36]1[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]1)(=[O:45])[Cl:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([NH2:16])[c:17]2[cH:18][c:19]([F:27])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[n:6][cH:7]1.[Cl:47][CH2:48][Cl:49].[K+:28].[K+:29].[O-:30][C:31]([O-:32])=[O:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([NH:16][C:34]([O:35][c:36]2[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]2)=[O:45])[c:17]2[cH:18][c:19]([F:27])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[n:6][cH:7]1