HRID282578

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(F)(F)F)cc3)n1)CCN(Cc1ccccc1)C2

HCID59021571

未命名化合物

PRODUCTS

生成物

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

HCID59021576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff5c9d364395488984044f4bfe37a1c0
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

[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][c:17]2[n:18][c:19]([S:36][CH3:37])[n:20][c:21]([NH:25][c:26]3[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[c:22]2[CH2:23][CH2:24]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]>>[NH:15]1[CH2:16][c:17]2[n:18][c:19]([S:36][CH3:37])[n:20][c:21]([NH:25][c:26]3[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[c:22]2[CH2:23][CH2:24]1