HRID673331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1672

3-Methoxypropylamine

C4H11NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

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

HCID66599213

未命名化合物

PRODUCTS

生成物

结构：COCCCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1

HCID57519927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aca72e9b635c43b983e4efbc1683b180
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][O:56][CH2:57][CH2:58][CH2:59][NH2:60].[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:61]=[CH:62][N:63]([CH3:64])[CH3:65].[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:60][CH2:59][CH2:58][CH2:57][O:56][CH3:55])[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