HRID290316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID22645301

未命名化合物

结构：CC(=O)OCCNC(=O)C(N)Cc1ccc(OC(F)(F)F)cc1

HCID57972096

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCNC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OCC2CC2)cc1

HCID57972118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dc7f9a0f82740b182c61be4bd37cd42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:15]([CH3:16])(=[O:17])[O:18][CH2:19][CH2:20][NH:21][C:22]([CH:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]1)[NH2:36])=[O:37].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]2)[CH2:2][CH2:3]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P:38]([C:39]#[N:40])([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47]>>[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:10](=[O:12])[NH:36][CH:23]([C:22]([NH:21][CH2:20][CH2:19][O:18][C:15]([CH3:16])=[O:17])=[O:37])[CH2:24][c:25]3[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1