HRID827787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID8857

Ethyl acetate

C4H8O2

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID3382465

未命名化合物

HCID58198105

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)S(=O)N=C1c2cc(Br)ccc2CC12CCOCC2

HCID67979409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecbac42f2882411da86e0b4ff1d6b3f6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[C:8](=[O:11])[C:7]1([CH2:6]2)[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1.[CH3:17][C:18]([CH3:19])([CH3:20])[S:21](=[O:22])[NH2:23].[CH3:24][OH:25].[CH3:31][CH:32]1[CH2:33][CH2:34][CH2:35][O:36]1.[CH3:37][CH2:38][O-:39].[CH3:41][CH2:42][O-:43].[CH3:44][CH2:45][O-:46].[CH3:47][CH2:48][O-:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[Ti+4:40]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[C:8](=[N:23][S:21]([C:18]([CH3:17])([CH3:19])[CH3:20])=[O:22])[C:7]1([CH2:6]2)[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1