HRID1112966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：O=S(=O)(c1ccc(Nc2ncnc3c2CN(Cc2ccccc2)CC3)cc1)C(F)(F)F

HCID59346557

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Nc2ncnc3c2CNCC3)cc1)C(F)(F)F

HCID59346454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a05c8f4b061649e68b596e046f2766eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([n:12][cH:13][n:14][c:15]2[NH:16][c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[C:26]([F:27])([F:28])[F:29])[cH:21][cH:22]2)[CH2:30][CH2:31]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[CH:48]([Cl:49])([Cl:50])[Cl:51].[Cl:32][CH:33]([O:34][C:35]([Cl:36])=[O:37])[CH3:38]>>[NH:8]1[CH2:9][c:10]2[c:11]([n:12][cH:13][n:14][c:15]2[NH:16][c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[C:26]([F:27])([F:28])[F:29])[cH:21][cH:22]2)[CH2:30][CH2:31]1