HRID676140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID225219

p-Aminophenylacetic acid ethyl ester

C10H13NO2

反应SMILES：CCOC(=C1C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc21)c1ccccc1

HCID69510549

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)Cc1ccc(NC(=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)c2ccccc2)cc1

HCID178470690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-11bfd64f65f141acb4bd6a950f857d7e
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

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