HRID158161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID101030

1H-Pyrrole-3-carboxylic acid

C5H5NO2

HCID1116164

benzyl beta-alaninate

C10H13NO2

PRODUCTS

生成物

HCID10516322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50a7956e0b4342138f6e044faea471da
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

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