HRID1554635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID3382465

未命名化合物

HCID58423902

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(C2CC(=NS(=O)C(C)(C)C)c3cc(Br)ccc3O2)CCO1

HCID67979341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce1c652bd4614f44a57741406ab393ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([CH:12]1[CH2:13][C:14]([CH3:18])([CH3:19])[O:15][CH2:16][CH2:17]1)[CH2:6][C:5]2=[O:20].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:21][C:22]([CH3:23])([CH3:24])[S:25](=[O:26])[NH2:27].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][CH2:45][O-:46].[CH3:48][CH2:49][O-:50].[CH3:51][CH2:52][O-:53].[CH3:54][CH2:55][O-:56].[Na+:32].[O-:28][C:29]([OH:30])=[O:31].[Ti+4:47]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([CH:12]1[CH2:13][C:14]([CH3:18])([CH3:19])[O:15][CH2:16][CH2:17]1)[CH2:6][C:5]2=[N:27][S:25]([C:22]([CH3:21])([CH3:23])[CH3:24])=[O:26]