HRID1220907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID25998

2,3-Epoxypropyl benzoate

C10H10O3

结构：CC(C)(C)OC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)O

HCID4588684

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)OCC(O)COC(=O)c1ccccc1

HCID178453308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d66871fa170543178d333f22ad30c5dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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