HRID2321700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

结构：CC(C)n1nc(CCNC(=O)OCc2ccccc2)c(CC2OCCO2)c1-c1ccc(F)cc1

HCID54754013

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nc2c(c1-c1ccc(F)cc1)C=CN(C(=O)OCc1ccccc1)CC2

HCID17753627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e492d77f0f7e4004a2178e3a2d309bd0
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH2:12][c:13]1[n:14][n:15]([CH:31]([CH3:32])[CH3:33])[c:16](-[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[c:17]1[CH2:18][CH:19]1[O:20][CH2:21][CH2:22][O:23]1)=[O:34].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[OH2:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]1[CH2:11][CH2:12][c:13]2[n:14][n:15]([CH:31]([CH3:32])[CH3:33])[c:16](-[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[c:17]2[CH:18]=[CH:19]1)=[O:34]