HRID668721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID517981

Methyl 3-(bromomethyl)benzoate

C9H9BrO2

结构：O=C(NCc1nnc(-c2ccc(O)cc2)s1)C(O)CCCCCCc1ccc(F)nc1

HCID136340688

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(COc2ccc(-c3nnc(CNC(=O)C(O)CCCCCCc4ccc(F)nc4)s3)cc2)c1

HCID66822294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e4599206e0b4fc384f6d2d9c401b53e
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

[Br:1][CH2:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][cH:12]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:48].[Cs+:49].[F:13][c:14]1[cH:15][cH:16][c:17]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH:26]([C:27](=[O:28])[NH:29][CH2:30][c:31]2[s:32][c:33](-[c:36]3[cH:37][cH:38][c:39]([OH:42])[cH:40][cH:41]3)[n:34][n:35]2)[OH:43])[cH:18][n:19]1>>[CH2:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][cH:12]1)[O:42][c:39]1[cH:38][cH:37][c:36](-[c:33]2[s:32][c:31]([CH2:30][NH:29][C:27]([CH:26]([CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][c:17]3[cH:16][cH:15][c:14]([F:13])[n:19][cH:18]3)[OH:43])=[O:28])[n:35][n:34]2)[cH:41][cH:40]1