HRID1549814

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

HCID86637524

未命名化合物

PRODUCTS

生成物

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

HCID58015054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cef63df11c6e4a6da95ed75e2d6590b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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