HRID315258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID26297

2-Chloro-2-oxoethyl acetate

C4H5ClO3

结构：Nc1nc(CN2CCC(c3c[nH]c4ccccc34)CC2)cs1

HCID14129796

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(=O)Nc1nc(CN2CCC(c3c[nH]c4ccccc34)CC2)cs1

HCID14129799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f439a57a3cb7405dacc3bd9b02a89616
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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