HRID1224369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6329

Methylamine

CH5N

HCID8857

Ethyl acetate

C4H8O2

结构：CN(Cc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1)C(=O)CCl

HCID59239830

未命名化合物

PRODUCTS

生成物

结构：CNCC(=O)N(C)Cc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1

HCID59239845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c38d781628a241799ba7b2d3bf15e82e
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

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