HRID677822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID61147

Acetyl bromide, 2-bromo-

C2H2Br2O

结构：COc1cc(C)c(-c2cccc(S(=O)(=O)c3cc(C(=N)NC(=O)OC(C)(C)C)sc3SC)c2)c(N)c1

HCID145857653

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(-c2cccc(S(=O)(=O)c3cc(C(=N)NC(=O)OC(C)(C)C)sc3SC)c2)c(NC(=O)CBr)c1

HCID145857627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6165c884c80430c82a6a1de3215c11f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:37][CH2:38][C:39](=[O:40])[Br:41].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:34][CH3:35])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20](-[c:24]3[c:25]([CH3:33])[cH:26][c:27]([O:31][CH3:32])[cH:28][c:29]3[NH2:30])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:36].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:55][CH2:56][Cl:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:34][CH3:35])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20](-[c:24]3[c:25]([CH3:33])[cH:26][c:27]([O:31][CH3:32])[cH:28][c:29]3[NH:30][C:39]([CH2:38][Br:37])=[O:40])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:36]