HRID2151815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID75430

Butane-1-sulfonyl chloride

C4H9ClO2S

结构：CCC(C)C(N)C(=O)NCCc1ccc(OCc2cccc3ccccc23)c(OC)c1

HCID178446667

未命名化合物

PRODUCTS

生成物

结构：CCCCS(=O)(=O)NC(C(=O)NCCc1ccc(OCc2cccc3ccccc23)c(OC)c1)C(C)CC

HCID178455645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-638d1deca2cc46eb95b9a1697cbad6e5
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

[CH2:39]([CH2:40][CH2:41][CH3:42])[S:43](=[O:44])(=[O:45])[Cl:46].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:21][CH2:22][NH:23][C:24]([CH:25]([CH:26]([CH2:27][CH3:28])[CH3:29])[NH2:30])=[O:31])[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:47]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:21][CH2:22][NH:23][C:24]([CH:25]([CH:26]([CH2:27][CH3:28])[CH3:29])[NH:30][S:43]([CH2:39][CH2:40][CH2:41][CH3:42])(=[O:44])=[O:45])=[O:31])[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12