HRID296656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID24499

Amidosulfonic acid chloride

H2ClNO2S

HCID31374

Dimethylacetamide

C4H9NO

结构：CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(O)cc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

HCID68491064

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(OS(N)(=O)=O)cc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

HCID68487550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b4c4883db9b4d1e82116c1364b492aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[OH2:46].[OH:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:13]([c:14](-[c:17]4[n:18]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[c:19]5[cH:20][cH:21][c:22]([CH2:26][N:27]6[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]6)[cH:23][c:24]5[cH:25]4)[cH:15][cH:16]2)[C:12](=[O:40])[NH:11][CH2:10]3)[cH:6][cH:7]1.[S:41]([NH2:42])(=[O:43])(=[O:44])[Cl:45]>>[O:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:13]([c:14](-[c:17]4[n:18]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[c:19]5[cH:20][cH:21][c:22]([CH2:26][N:27]6[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]6)[cH:23][c:24]5[cH:25]4)[cH:15][cH:16]2)[C:12](=[O:40])[NH:11][CH2:10]3)[cH:6][cH:7]1)[S:41]([NH2:42])(=[O:43])=[O:44]