HRID1138144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID78516

Acetamide, N-(aminocarbonyl)-2-chloro- (9CI)

C3H5ClN2O2

结构：CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1

HCID12800741

未命名化合物

PRODUCTS

生成物

结构：CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(N)=O)CC1

HCID44327286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48db29899ca14b429c9be78085686752
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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