HRID1545657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID437645

Benzyl alaninate

C10H13NO2

HCID4436857

N-[(1,1-Dimethylethoxy)carbonyl]-N-methylalanine

C9H17NO4

PRODUCTS

生成物

结构：CC(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

HCID178465127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80ab68ff328d46468534da9b90ae104e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:29](=[O:30])([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[N:36]([CH:37]([CH3:38])[C:39](=[O:40])[OH:41])[CH3:42].[CH2:25]([Cl:26])[CH2:27][Cl:28].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10]([CH:11]([NH2:12])[CH3:13])=[O:14].[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:1].[OH2:57].[OH:15][n:16]1[c:17]2[c:18]([cH:19][cH:20][cH:21][cH:22]2)[n:23][n:24]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10]([CH:11]([NH:12][C:39]([CH:37]([N:36]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH3:42])[CH3:38])=[O:40])[CH3:13])=[O:14]