HRID1203117

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

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

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

HCID14129796

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc(CN2CCC(c3c[nH]c4ccccc34)CC2)cs1)C1CC1

HCID10339755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49da1ebbd7274a8493bbba6fc2827dce
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

[CH2:41]([Cl:42])[Cl:43].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[CH:35]1([C:38](=[O:39])[Cl:40])[CH2:36][CH2:37]1.[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:38]([CH:35]4[CH2:36][CH2:37]4)=[O:39])[s:20][cH:21]3)[CH2:14][CH2:15]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12