HRID152156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16452

1-propanone, 2-bromo-1-phenyl-

C9H9BrO

结构：COc1cc(C=CCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)ccc1O

HCID53966365

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)c1ccccc1)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1

HCID18412124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca9f52ca317f4f8da4ea7827e76462b2
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

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