HRID311848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID43373280

4-Amino-N-(1-methyl-4-piperidinyl)benzamide

C13H19N3O

结构：CCCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Cl)ncc21

HCID86637506

未命名化合物

PRODUCTS

生成物

结构：CCCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)ncc21

HCID58014969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fa19b4c9651432488cbeb90fa548d40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:53][CH:54]([OH:55])[CH3:56].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:23]1)[N:7]([CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:8][C:9]([F:16])([F:17])[C:10](=[O:15])[N:11]2[CH2:12][CH2:13][CH3:14].[NH2:24][c:25]1[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:31][CH:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:39][cH:40]1.[OH2:41].[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([OH:48])(=[O:49])=[O:50])[cH:51][cH:52]1>>[c:2]1([NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:31][CH:32]3[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]3)[cH:39][cH:40]2)[n:3][cH:4][c:5]2[c:6]([n:23]1)[N:7]([CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:8][C:9]([F:16])([F:17])[C:10](=[O:15])[N:11]2[CH2:12][CH2:13][CH3:14]