HRID104147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID519421

1-Phenyl-3-pentene

C11H14

结构：CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc2c(Br)cccc2c(=O)[nH]1

HCID136186409

未命名化合物

PRODUCTS

生成物

结构：CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc2c(C(=CCc3ccccc3)CC)cccc2c(=O)[nH]1

HCID136160088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-904bf33d0dc34696983e9f5b2db130e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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