HRID1132913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID11529063

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

C14H21N3O2

结构：CC(C)N1CC(F)(F)C(=O)N(C)c2cnc(Cl)nc21

HCID86635900

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)CC(F)(F)C(=O)N2C

HCID44546888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b93f68258b8e4613af6f65ea20dfe05e
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

[CH:60]([OH:61])([CH3:62])[CH3:63].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:16]([CH3:17])[CH3:18])[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[Cl:57][CH2:58][Cl:59].[NH2:20][c:21]1[c:22]([O:37][CH3:38])[cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]2[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]2)[cH:35][cH:36]1.[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[OH2:39].[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1>>[c:2]1([NH:20][c:21]2[c:22]([O:37][CH3:38])[cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]3[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]3)[cH:35][cH:36]2)[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:16]([CH3:17])[CH3:18])[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12]