HRID141389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID17174

1H-Imidazole, 1-acetyl-

C5H6N2O

结构：CC(C)(C)OC(=O)N1CCNCC1C(O)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1

HCID178452283

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(O)C(Cc2ccccc2)N=C(c2ccccc2)c2ccccc2)C1

HCID178473920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1309649e1b8c4fcd8999290e8c22cf22
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

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