HRID184436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID67263452

未命名化合物

HCID71742191

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(CCOC)C(=O)CCC3)ncc1Cl

HCID53318802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6e820082e9f415bb24664ff1a0b8408
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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