HRID2330431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID69220256

未命名化合物

结构：FC(F)(F)Oc1ccc2[nH]c(-c3nc(CCl)co3)cc2c1

HCID136331965

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(Cc1coc(-c2cc3cc(OC(F)(F)F)ccc3[nH]2)n1)c1ccc(CCCCn2ccnn2)cc1

HCID136331972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bde672f67841481f9204a61942e69cb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][n:18]2[n:19][n:20][cH:21][cH:22]2)[cH:12][cH:13]1)=[O:23].[CH:45]([N:46]([CH3:47])[CH3:48])=[O:49].[Cl:24][CH2:25][c:26]1[n:27][c:28](-[c:31]2[nH:32][c:33]3[cH:34][cH:35][c:36]([O:40][C:41]([F:42])([F:43])[F:44])[cH:37][c:38]3[cH:39]2)[o:29][cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][n:18]2[n:19][n:20][cH:21][cH:22]2)[cH:12][cH:13]1)[CH2:25][c:26]1[n:27][c:28](-[c:31]2[nH:32][c:33]3[cH:34][cH:35][c:36]([O:40][C:41]([F:42])([F:43])[F:44])[cH:37][c:38]3[cH:39]2)[o:29][cH:30]1)=[O:23]