HRID181806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5126

2-Amino-1-propanol

C3H9NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID11234608

未命名化合物

PRODUCTS

生成物

结构：CC(CO)NC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F

HCID11351282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad745ec2314f440d881c60ea89b3e7fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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