HRID2144655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10394

Benzenepropanoic acid, 4-hydroxy-

C9H10O3

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID4723366

未命名化合物

PRODUCTS

生成物

结构：CCOCCCN(Cc1ccc(C(C)C)cc1)C(=O)CCc1ccc(O)cc1

HCID69120692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a3e3f872b90424b9d43e86b38700bbc
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

[B-:30]([F:31])([F:32])([F:33])[F:34].[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][CH2:6][NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH3:16])[CH3:17])[cH:13][cH:14]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:18][C:19](=[O:20])[CH2:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([OH:27])[cH:28][cH:29]1.[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][CH2:6][N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([CH3:16])[CH3:17])[cH:13][cH:14]1)[C:19](=[O:18])[CH2:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([OH:27])[cH:28][cH:29]1