HRID1227648

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

HCID2760661

(2-methylphenyl)methanesulfonyl Chloride

C8H9ClO2S

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)Cc4ccccc4C)CC3)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID17758678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c7ad0dc7b5b44d2a65b74349d184b3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:45](=[O:46])([OH:47])[O-:48].[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].[Cl:50][CH2:51][Cl:52].[Na+:49].[c:33]1([CH3:44])[c:34]([CH2:39][S:40](=[O:41])(=[O:42])[Cl:43])[cH:35][cH:36][cH:37][cH:38]1>>[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:40]([CH2:39][c:34]4[c:33]([CH3:44])[cH:38][cH:37][cH:36][cH:35]4)(=[O:41])=[O:42])[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]