HRID309418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10665

1H-Isoindole-1,3(2H)-dione, 2-hydroxy-

C8H5NO3

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1ccc(OCCCBr)c(-c2ccc(C(F)(F)F)cc2)c1

HCID69195681

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCCCON2C(=O)c3ccccc3C2=O)c(-c2ccc(C(F)(F)F)cc2)c1

HCID69195739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f4204e445fa4c8b8def0db10fc34e79
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

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