HRID286470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID3603542

3-fluoroazetidine

C3H6FN

结构：CC(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1

HCID67776711

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)ccn2n1

HCID57378066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b886e679b9544faebb10df796a2b723c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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