HRID158400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11042255

2-biphenyl-4-yl-furan

C16H12O

结构：CC1(C)OCC(Cc2ccccc2)N1C(=O)C(=O)c1ccn(-c2ccc(-c3ccccc3)cc2)c1

HCID18380312

未命名化合物

HCID57026205

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(Cc2ccccc2)N1C(=O)C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1

HCID18380414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5b4d5dfdaee42b18488eb44fad4ff39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:15]([C:16](=[O:17])[c:18]2[cH:19][cH:20][n:21](-[c:22]3[cH:23][cH:24][c:25](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:32][cH:33]3)[cH:34]2)=[O:35])[C:10]([CH3:13])([CH3:14])[O:11][CH2:12]1.[CH2:53]([O:54][C:55](=[O:56])[C:57]([NH:58][N:59]1[CH:60]([CH2:61][c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[CH2:68][O:69][C:70]1([CH3:71])[CH3:72])=[O:73])[CH3:74].[c:36]1(-[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:37][cH:38][c:39](-[c:42]2[o:43][cH:44][cH:45][cH:46]2)[cH:40][cH:41]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:15]([C:16](=[O:17])[c:44]2[o:43][c:42](-[c:39]3[cH:38][cH:37][c:36](-[c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[cH:41][cH:40]3)[cH:46][cH:45]2)=[O:35])[C:10]([CH3:13])([CH3:14])[O:11][CH2:12]1