HRID1212379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7121

3,4-Dimethoxybenzoic acid

C9H10O4

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID13117362

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1

HCID13117363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fb10700d1754b78a195e57ede3fafe3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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