HRID674245

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

HCID4770990

1H-Pyrazol-4-amine, 1-methyl-

C4H7N3

结构：Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cn1

HCID66599213

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)Nc2cnn(C)c2)cn1

HCID42629931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e796ae2cb243fa86d33b129b96f406
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

[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1.[CH3:55][n:56]1[n:57][cH:58][c:59]([NH2:61])[cH:60]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[F:24][B-:25]([F:26])([F:27])[F:28].[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[n:16][cH:17][c:18]([C:19](=[O:21])[NH:61][c:59]3[cH:58][n:57][n:56]([CH3:55])[cH:60]3)[cH:22][cH:23]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1