HRID662178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2760898

Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C10H18N2O2

HCID3401206

3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid

C14H19NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C

HCID77242169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c67d65a44db4f13bf06abfea0c8f69a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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