HRID2318932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

2 次

结构：CC(C)(C)OC(=O)NCCNC(=O)c1nnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1CCCCCF

HCID86629809

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NCCNC(=O)c1nnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1CCCCCF

HCID68518163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e062f8e174b74ea9a812faa94d3d6e96
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

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