HRID152115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID13316928

(4-Phenylpyrrolidin-3-yl)methanol

C11H15NO

HCID22309070

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cnoc1-c1ccccn1)N1CC(CO)C(c2ccccc2)C1

HCID59170221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce7257338ccd4f87b12cb2fa50d0e957
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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