HRID2157587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：CSc1nc2c(c(Nc3ccc(C(C)(C)C)cc3)n1)CCN(Cc1ccccc1)C2

HCID59021482

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2c(c(Nc3ccc(C(C)(C)C)cc3)n1)CCNC2

HCID59021569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8b30060f2f74f05886aa0240e00f877
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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