HRID2334541

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

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)O)cc2n1Cc1ccccc1

HCID25060003

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)NCCO)cc2n1Cc1ccccc1

HCID69226453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8f3a8035028495f819c679a51a0edd6
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:32]([CH3:33])[CH3:34])[c:10]([C:20]([NH:21][CH2:22][c:23]2[cH:24][c:25]([F:30])[c:26]([F:29])[cH:27][cH:28]2)=[O:31])[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[OH:19])[cH:15][c:16]12.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[NH2:44][CH2:45][CH2:46][OH:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:32]([CH3:33])[CH3:34])[c:10]([C:20]([NH:21][CH2:22][c:23]2[cH:24][c:25]([F:30])[c:26]([F:29])[cH:27][cH:28]2)=[O:31])[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:19])[NH:44][CH2:45][CH2:46][OH:47])[cH:15][c:16]12