HRID1128285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2756058

Tert-butyl 1,4-diazepane-1-carboxylate

C10H20N2O2

HCID86612500

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1

HCID68823260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9966ebbf34594b15b5a8a961c9f0ea76
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

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