HRID678523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

反应SMILES：COc1ccc(C2Sc3cc(C)ccc3N(CCN(C)C(=O)OCc3ccccc3)C(=O)C2O)cc1

HCID13652762

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C2Sc3cc(C)ccc3N(CCN(C)C(=O)OCc3ccccc3)C(=O)C2OC(C)=O)cc1

HCID13652763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-76a142a59c4a46dea2d88d961fe198be
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

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