HRID123927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734373

4-Methylthiophene-2-boronic acid

C5H7BO2S

结构：COc1ccc(N2CC(C)N(C(=O)OC(C)(C)C)C(C)C2)nc1NS(=O)(=O)c1ccc(Br)cc1Cl

HCID178491955

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CC(C)N(C(=O)OC(C)(C)C)C(C)C2)nc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1Cl

HCID178491957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e3c32e19a1b4e5b9eb1bb0cfacf1bdb
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

[Br:1][c:2]1[cH:3][c:4]([Cl:35])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:33][CH3:34])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:32])[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH:22]([CH3:24])[CH2:23]3)[n:17]2)[cH:6][cH:7]1.[CH3:36][c:37]1[cH:38][c:39]([B:42]([OH:43])[OH:44])[s:40][cH:41]1.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl-:45].[Cl:46][CH2:47][Cl:48].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:67]>>[c:2]1(-[c:39]2[cH:38][c:37]([CH3:36])[cH:41][s:40]2)[cH:3][c:4]([Cl:35])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:33][CH3:34])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:32])[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH:22]([CH3:24])[CH2:23]3)[n:17]2)[cH:6][cH:7]1