查数据/反应详情

HRID701549

反应详情

EQUATION

反应方程式

HRID 701549 的结构方程式

REACTANTS

反应物

2

结构：CC(Br)CCC(C)Br

Hexane, 2,5-dibromo-

C6H12Br2

结构：COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCCCC1N

未命名化合物

PRODUCTS

生成物

1

结构：COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCCCC1N1C(C)CCC1C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc839e42321e423fb3557e6fd2e8a6f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:27][CH:28]([CH3:29])[CH2:30][CH2:31][CH:32]([CH3:33])[Br:34].[NH2:1][CH:2]1[CH:3]([NH:8][C:9]([c:10]2[c:11]([O:24][CH3:25])[cH:12][c:13]([C:20]([F:21])([F:22])[F:23])[cH:14][c:15]2[C:16]([F:17])([F:18])[F:19])=[O:26])[CH2:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([CH:2]2[CH:3]([NH:8][C:9]([c:10]3[c:11]([O:24][CH3:25])[cH:12][c:13]([C:20]([F:21])([F:22])[F:23])[cH:14][c:15]3[C:16]([F:17])([F:18])[F:19])=[O:26])[CH2:4][CH2:5][CH2:6][CH2:7]2)[CH:28]([CH3:29])[CH2:30][CH2:31][CH:32]1[CH3:33]

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