HRID2346731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

HCID81531

Diisopropylethylamine

C8H19N

HCID86038553

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(CCl)cc3)nc12

HCID86597265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4df56e6743f34c43b81b781592139fd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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