HRID312870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID31374

Dimethylacetamide

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID120118

6-Phenylpyridine-3-carboxylic acid

C12H9NO2

HCID16228722

1-(2,2,2-Trifluoroethyl)piperidin-4-amine

C7H13F3N2

PRODUCTS

生成物

结构：O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2ccccc2)nc1

HCID59743886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-890e6f05fa08488999370e3b47430f73
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

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