HRID1132775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID22477426

1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid

C8H6N2O2

结构：NC1c2cccc(-c3nc4ccc(F)cc4[nH]3)c2-n2cccc21

HCID67072716

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1c2cccc(-c3nc4ccc(F)cc4[nH]3)c2-n2cccc21)c1ccnc2[nH]ccc12

HCID44537864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-058afe71e59a427196c2d3188506418b
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

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