HRID2325053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID6484228

Thiomorpholine 1,1-dioxide

C4H9NO2S

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1

HCID68444775

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1)N1CCS(=O)(=O)CC1

HCID68935506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f52f956d7d2445e9a7e9368d4f0993e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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