HRID164452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID67263855

未命名化合物

HCID86634019

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1scc(C)c1Nc1nc(Nc2ccc3c(c2)NC(=O)CN(C)C3)ncc1Cl

HCID25159010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da3424e8c978401a9b689520032fe0d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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