HRID150853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6363

Isopropylamine

C3H9N

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(O)Cc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2

HCID22038043

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)Cc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2

HCID22037974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7554b9886e044a3fa6967a9cd8ffaa8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:29][CH:30]([CH3:31])[NH2:32].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][C:24](=[O:25])[OH:26])[cH:21][c:22]43)[CH2:12][CH2:13]2)[cH:27][cH:28]1.[OH2:33]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][C:24](=[O:26])[NH:32][CH:30]([CH3:29])[CH3:31])[cH:21][c:22]43)[CH2:12][CH2:13]2)[cH:27][cH:28]1