HRID94628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8421

Benzeneethanamine, 3,4-dimethoxy-

C10H15NO2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID178482013

未命名化合物

PRODUCTS

产物

HCID54050218

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-methyl-1,2,3,4-tetrazol-5-yl)thio-butyramide

C16H23N5O2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f2926707a3a54cd09dcda5c7e0c191f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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