HRID675279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12185

Ethyl mercaptoacetate

C4H8O2S

结构：O=S(=O)(c1ccc(C(CC2CCOCC2)c2ccc(-c3ccc(Br)cn3)[nH]2)cc1)C1CC1

HCID59331248

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CSc1ccc(-c2ccc(C(CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)[nH]2)nc1

HCID59331460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf8ac8e38d334aef8552ce39d6999531
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:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH:30]4[CH2:31][CH2:32]4)[cH:25][cH:26]3)[cH:11][cH:12]2)[n:6][cH:7]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[SH:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39]>>[c:2]1([S:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH:30]4[CH2:31][CH2:32]4)[cH:25][cH:26]3)[cH:11][cH:12]2)[n:6][cH:7]1