HRID1139392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID2795033

2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

C9H8O3

HCID57725414

未命名化合物

PRODUCTS

产物

HCID57725579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-42fb3c3748b547e682516a94293bd977
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br-:25].[CH3:26][Mg+:27].[CH3:48][NH:49][C:50](=[O:51])[c:52]1[n:53][cH:54][cH:55][c:56]([O:58][c:59]2[cH:60][c:61]3[c:62]([n:63][c:64]([S:66]([CH3:67])=[O:68])[o:65]3)[cH:69][cH:70]2)[cH:57]1.[O:13]1[c:14]2[cH:15][cH:16][cH:17][c:18]([CH:19]=[NH:20])[c:21]2[O:22][CH2:23][CH2:24]1.[O:1]1[c:2]2[cH:3][cH:4][cH:5][c:6]([CH:7]=[O:8])[c:9]2[O:10][CH2:11][CH2:12]1.[O:28]1[CH2:29][CH2:30][O:31][c:32]2[c:33]1[cH:34][cH:35][cH:36][c:37]2[CH:38]([CH3:39])[NH2:40].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[O:28]1[CH2:29][CH2:30][O:31][c:32]2[c:33]1[cH:34][cH:35][cH:36][c:37]2[CH:38]([CH3:39])[NH:40][c:64]1[n:63][c:62]2[c:61]([cH:60][c:59]([O:58][c:56]3[cH:55][cH:54][n:53][c:52]([C:50]([NH:49][CH3:48])=[O:51])[cH:57]3)[cH:70][cH:69]2)[o:65]1