HRID2134257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID34677

2-Aminotetralin

C10H13N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

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)NC4CCc5ccccc5C4)cc3)c(C#N)cc21

HCID67081013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acb9904cccdc4d039305f58b11fdf168
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

[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].[CH2:33]1[CH:34]([NH2:43])[CH2:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]21.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:27][C:28]([C:29]([Cl:30])=[O:31])=[O:32].[Cl:53][CH2:54][Cl:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[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:43][CH:34]3[CH2:33][c:42]4[c:37]([cH:38][cH:39][cH:40][cH:41]4)[CH2:36][CH2:35]3)[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26]