HRID92130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID7915

Isopropyl acetate

C5H10O2

结构：CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2C1

HCID68812777

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1

HCID9848083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-396c8b7b11384a06b5c92a7352980057
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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