HRID1209448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID596118

[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

C7H7F3N2O2

结构：C1=C(c2nc(C3=NOC(c4ccccc4)C3)cs2)CCNC1

HCID68742852

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CC=C(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1

HCID68745069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43495461bf5a4bf89b590ad28ee1dd39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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