HRID684346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID200281

3-Phenylpyrrolidin-3-ol

C10H13NO

HCID14787252

5-(Phenylmethyl)-4-isoxazolecarboxylic acid

C11H9NO3

PRODUCTS

生成物

结构：O=C(c1cnoc1Cc1ccccc1)N1CCC(O)(c2ccccc2)C1

HCID59170118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a8bd65a5a76491d95d8b105753c413b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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