HRID1126237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8058

n-Hexane

C6H14

HCID67572

1,3-Isobenzofurandione, 5-fluoro-

C8H3FO3

结构：NCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C2CCCC21

HCID70111522

未命名化合物

PRODUCTS

生成物

结构：O=C1c2ccc(F)cc2C(=O)N1CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C2CCCC21

HCID77778505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db5050ca12eb40a1a6078e21542ef105
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

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