HRID2124639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

结构：O=C(O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)ccn1

HCID59394773

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NNC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)ccn1

HCID67430447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cd10c7187ce4195813d0d87924c7a9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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