HRID2124309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(C3=CCNCC3)cc12

HCID67364081

未命名化合物

PRODUCTS

生成物

结构：CC(c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(C3=CCN(C(N)=O)CC3)cc12

HCID67402166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00074a5e7a184bce8dab4106d53e1232
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

[CH3:27][Si:28]([CH3:29])([CH3:30])[N:31]=[C:32]=[O:33].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[c:12]2[cH:13][nH:14][c:15]3[n:16][cH:17][c:18]([C:21]4=[CH:26][CH2:25][NH:24][CH2:23][CH2:22]4)[cH:19][c:20]23)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[c:12]2[cH:13][nH:14][c:15]3[n:16][cH:17][c:18]([C:21]4=[CH:26][CH2:25][N:24]([C:32]([NH2:31])=[O:33])[CH2:23][CH2:22]4)[cH:19][c:20]23)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8]