HRID696467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID308072

2-Amino-N-methylbenzamide

C8H10N2O

结构：COc1cc2c(cc1Nc1ncc(C(F)(F)F)c(Cl)n1)CCOC(=O)N2C

HCID86634054

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)N(C)C(=O)OCC3)ncc1C(F)(F)F

HCID66829765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50e25c61053e4acb81863f0042e0315c
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

[C:43]12([CH2:44][S:45]([OH:46])(=[O:47])=[O:48])[C:49]([CH3:50])([CH3:51])[CH:52]([CH2:53][CH2:54]1)[CH2:55][C:56]2=[O:57].[CH:39]([OH:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([O:26][CH3:27])[cH:15][c:16]3[c:17]([cH:25]2)[CH2:18][CH2:19][O:20][C:21](=[O:24])[N:22]3[CH3:23])[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[NH2:28][c:29]1[c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36][cH:37][cH:38]1>>[c:2]1([NH:28][c:29]2[c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36][cH:37][cH:38]2)[n:3][c:4]([NH:12][c:13]2[c:14]([O:26][CH3:27])[cH:15][c:16]3[c:17]([cH:25]2)[CH2:18][CH2:19][O:20][C:21](=[O:24])[N:22]3[CH3:23])[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]