HRID2155025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1ccc(S(=O)(=O)n2cc(CBr)c3ccccc32)cc1

HCID11268512

未命名化合物

HCID49760149

tert-Butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate

C14H24N2O3

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c3ccccc32)cc1

HCID67253831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f695e527274c3786d1add915842837
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

[Br:27][CH2:28][c:29]1[cH:30][n:31]([S:38](=[O:39])(=[O:40])[c:41]2[cH:42][cH:43][c:44]([CH3:45])[cH:46][cH:47]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[O:8]=[C:9]1[NH:10][CH2:11][CH2:12][CH2:13][C:14]12[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2>>[O:8]=[C:9]1[N:10]([CH2:28][c:29]2[cH:30][n:31]([S:38](=[O:39])(=[O:40])[c:41]3[cH:42][cH:43][c:44]([CH3:45])[cH:46][cH:47]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]23)[CH2:11][CH2:12][CH2:13][C:14]12[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2