HRID679463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1146

Trimethylamine

C3H9N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID69828

Cyclopropanamine

C3H7N

HCID86673219

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC1)c1cccc(-c2csc3cnc(Cl)nc23)c1

HCID86673220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81584cd4e8e64bcebe918003378435c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:24]([N:25]=[C:26]=[N:27][CH2:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33])[CH3:34].[CH3:45][N:46]([CH3:47])[CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:20]1([NH2:23])[CH2:21][CH2:22]1.[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[c:8](-[c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19]1)[cH:9][s:10]2.[OH:35][c:36]1[c:37]2[n:38][n:39][nH:40][c:41]2[cH:42][cH:43][cH:44]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[c:8](-[c:11]1[cH:12][c:13]([C:14](=[O:16])[NH:23][CH:20]3[CH2:21][CH2:22]3)[cH:17][cH:18][cH:19]1)[cH:9][s:10]2