HRID111639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID74657

Acetic acid, (4-bromophenoxy)-

C8H7BrO3

HCID74658

(p-Iodophenoxy)acetic acid

C8H7IO3

HCID104810

Barium (II) ion

Ba+2

结构：CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID59747992

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(OCC(=O)O)cc2)cc1

HCID69253225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f9bbc75942047d0abf15b67960e01e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Ba+2:53].[Br:13][c:14]1[cH:15][cH:16][c:17]([O:18][CH2:19][C:20]([OH:21])=[O:22])[cH:23][cH:24]1.[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][c:36](-[c:39]3[s:40][cH:41][cH:42][c:43]3[NH:44][S:45](=[O:46])(=[O:47])[CH:48]([CH3:49])[CH3:50])[cH:37][cH:38]2)[O:51]1.[Cl:55][CH2:56][Cl:57].[I:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[OH-:52].[OH-:54].[OH2:58]>>[c:2]1(-[c:33]2[cH:34][cH:35][c:36](-[c:39]3[s:40][cH:41][cH:42][c:43]3[NH:44][S:45](=[O:46])(=[O:47])[CH:48]([CH3:49])[CH3:50])[cH:37][cH:38]2)[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1