HRID664280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1nc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)sc1C(=O)O

HCID58031666

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)sc1C(=O)NCc1cccnc1

HCID58031447

4-Methyl-2-{5-oxo-1-[4-(trifluoromethyl)benzyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}-N-(3-pyridinylmethyl)-1,3-thiazole-5-carboxamide

C21H17F3N6O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae9401eea0c34a22bf9cd5b66a8ad6dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][c:2]1[n:3][c:4](-[n:10]2[cH:11][n:12][n:13]([CH2:16][c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[c:14]2=[O:15])[s:5][c:6]1[C:7](=[O:8])[OH:9].[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:27].[NH2:58][CH2:59][c:60]1[cH:61][n:62][cH:63][cH:64][cH:65]1.[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][c:2]1[n:3][c:4](-[n:10]2[cH:11][n:12][n:13]([CH2:16][c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[c:14]2=[O:15])[s:5][c:6]1[C:7](=[O:9])[NH:58][CH2:59][c:60]1[cH:61][n:62][cH:63][cH:64][cH:65]1