HRID697508

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

HCID3613651

3-(Pyrrolidin-3-yl)pyridine

C9H12N2

HCID22309070

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cnoc1-c1ccccn1)N1CCC(c2cccnc2)C1

HCID59170204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c77aa344c325435fb7452059301c63fa
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-:12]([F:13])([F:14])([F:15])[F:16].[CH2:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42].[NH:1]1[CH2:2][CH:3]([c:6]2[cH:7][n:8][cH:9][cH:10][cH:11]2)[CH2:4][CH2:5]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[n:43]1[c:44](-[c:49]2[c:50]([C:54](=[O:55])[OH:56])[cH:51][n:52][o:53]2)[cH:45][cH:46][cH:47][cH:48]1>>[N:1]1([C:54]([c:50]2[c:49](-[c:44]3[n:43][cH:48][cH:47][cH:46][cH:45]3)[o:53][n:52][cH:51]2)=[O:55])[CH2:2][CH:3]([c:6]2[cH:7][n:8][cH:9][cH:10][cH:11]2)[CH2:4][CH2:5]1