HRID124302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5530

2-Phenylcyclopropan-1-amine

C9H11N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)O)cc3)c(C#N)cc21

HCID46221108

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)NC4CC4c4ccccc4)cc3)c(C#N)cc21

HCID67080429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d03b29b432cd45c09b06e2d6e712db55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:27][C:28]([C:29]([Cl:30])=[O:31])=[O:32].[Cl:50][CH2:51][Cl:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[c:40]1([CH:46]2[CH:47]([NH2:49])[CH2:48]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:20])[NH:49][CH:47]3[CH:46]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[CH2:48]3)[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26]