HRID163919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7121

3,4-Dimethoxybenzoic acid

C9H10O4

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：O=C(C=C(c1cccc(Cl)c1)c1cccc(Cl)c1)N1CCNCC1

HCID19421639

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2CCN(C(=O)C=C(c3cccc(Cl)c3)c3cccc(Cl)c3)CC2)cc1OC

HCID19421655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a65cb26192b0435c83c382ab1fdbeea2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:42]([Cl:43])[Cl:44].[CH3:45][O:46][c:47]1[cH:48][cH:49][c:50]([C:55]([OH:56])=[O:57])[cH:51][c:52]1[O:53][CH3:54].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cl:18][c:19]1[cH:20][c:21]([C:25](=[CH:26][C:27](=[O:28])[N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[c:35]2[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]2)[cH:22][cH:23][cH:24]1.[c:1]1([P:2]([N:3]=[N+:4]=[N-:5])([c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)=[O:12])[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[Cl:18][c:19]1[cH:20][c:21]([C:25](=[CH:26][C:27](=[O:28])[N:29]2[CH2:30][CH2:31][N:32]([C:55]([c:50]3[cH:49][cH:48][c:47]([O:46][CH3:45])[c:52]([O:53][CH3:54])[cH:51]3)=[O:56])[CH2:33][CH2:34]2)[c:35]2[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]2)[cH:22][cH:23][cH:24]1