HRID2136911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24638

Chlorosulfuric acid

HClO3S

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1(C)CC(Nc2nccc(-c3ccccc3)n2)CC(C)(C)N1

HCID57936322

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(Nc2nccc(-c3cccc(S(=O)(=O)NCCO)c3)n2)CC(C)(C)N1

HCID68658339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fae720f119cd44d48b49993693f07bd8
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

[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:37][S:38](=[O:39])(=[O:40])[OH:41].[NH2:33][CH2:34][CH2:35][OH:36].[c:1]1(-[c:7]2[n:8][c:9]([NH:13][CH:14]3[CH2:15][C:16]([CH3:22])([CH3:23])[NH:17][C:18]([CH3:20])([CH3:21])[CH2:19]3)[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([NH:13][CH:14]3[CH2:15][C:16]([CH3:22])([CH3:23])[NH:17][C:18]([CH3:20])([CH3:21])[CH2:19]3)[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][c:5]([S:38]([NH:33][CH2:34][CH2:35][OH:36])(=[O:39])=[O:40])[cH:6]1