HRID2131929

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

HCID419223

4-Aminotetrahydropyran

C5H11NO

结构：Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)O)nc1

HCID66644648

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC2CCOCC2)nc1

HCID49803022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca5f4b142c7f44d3a3f35ebd9e13e954
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-:24]([F:25])([F:26])([F:27])[F:28].[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([C:21](=[O:22])[OH:23])[n:19][cH:20]2)[c:4](-[c:7]2[n:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[NH2:55][CH:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([C:21](=[O:23])[NH:55][CH:56]3[CH2:57][CH2:58][O:59][CH2:60][CH2:61]3)[n:19][cH:20]2)[c:4](-[c:7]2[n:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1