HRID1139964

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

HCID11529063

4-Amino-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide

C14H21N3O2

结构：CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Cl)ncc21

HCID86637505

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc21

HCID58014998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1e2085168704f30af08439a35c055a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:54][CH:55]([OH:56])[CH3:57].[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[c:25]([O:40][CH3:41])[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.[OH2:42].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([OH:49])(=[O:50])=[O:51])[cH:52][cH:53]1>>[c:2]1([NH:23][c:24]2[c:25]([O:40][CH3:41])[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]