HRID297828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID11218255

(2,6-dimethylphenyl)methanesulfonyl Chloride

C9H11ClO2S

结构：COC(=O)c1sc(-c2cccc(NC3CCNCC3)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID17758124

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4c(C)cccc4C)CC3)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID17758011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19979e7c806f4ee992400dc41045d871
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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