HRID190605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID232314

4-isopropylbenzenesulfonamide

C9H13NO2S

结构：CCCc1cc(C(C)=O)ccc1OC(C(=O)O)c1ccc2c(c1)OCO2

HCID19080456

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C(C)=O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

HCID19080402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9466ccb18ffe4dc9af46245e720ee909
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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