HRID111047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID66096

3-(Trifluoromethoxy)benzoic acid

C8H5F3O3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：Cc1nc(-c2ccc(CN)c(NCC(=O)OCc3ccccc3)c2)no1

HCID69490393

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(CNC(=O)c3cccc(OC(F)(F)F)c3)c(NCC(=O)OCc3ccccc3)c2)no1

HCID69491528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5bdb18248964f7c970b68ad672964d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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