HRID185966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：COC(=O)C1=C(C)N=C(OC)NC1c1ccc(F)c(F)c1

HCID178498444

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)N=C(OC)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc(F)c(F)c1

HCID10671680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a9fc758eb8a4aeeb3aad1fb885ea796
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

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