HRID800503

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

HCID1116164

benzyl beta-alaninate

C10H13NO2

HCID10154054

1-methyl-1H-pyrrole-3-carboxylic acid

C6H7NO2

PRODUCTS

生成物

HCID10803123

N-[(1-Methyl-1H-pyrrol-3-yl)carbonyl]-β-alanine phenylmethyl ester

C16H18N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d43e12c3c0514ffaad26716845dbe609
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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