HRID2125558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16375

4-Bromopyrazole

C3H3BrN2

结构：COc1ccc(C(Cl)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

HCID630505

4,4',4''-Trimethoxytrityl chloride

C22H21ClO3

PRODUCTS

生成物

结构：COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(Br)cn2)cc1

HCID58432066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e33d6816b5e4cf98e16cb9966c73805
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][nH:5][cH:6]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]([C:13]([c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)([c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[Cl:30])[cH:31][cH:32]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[Br:1][c:2]1[cH:3][n:4][n:5]([C:13]([c:12]2[cH:11][cH:10][c:9]([O:8][CH3:7])[cH:32][cH:31]2)([c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[cH:6]1