HRID2338743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)O)cn1

HCID68446401

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCCO)cn1

HCID68935584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df12c44d3b764072aa53d7dd6188d654
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:13][NH: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.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[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].[NH2:55][CH2:56][CH2:57][OH:58].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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][NH:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:21])[NH:55][CH2:56][CH2:57][OH:58])[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