HRID159186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID4965

Bromomethyl 4-methoxyphenyl ketone

C9H9BrO2

结构：COc1ccc(-c2nccn2N=Cc2ccc(N(C)C)cc2)cc1

HCID54562755

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：COc1ccc(C(=O)C[n+]2ccn(N=Cc3ccc(N(C)C)cc3)c2-c2ccc(OC)cc2)cc1

HCID54326443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eac7dd67bb92409091b27076e19dd760
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

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