HRID187053

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-methylpiperidin-4-yl)benzamide

C13H19N3O

HCID86637505

未命名化合物

PRODUCTS

产物

HCID58015099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce31250ec759487084ea282d8fa72242
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

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