HRID2159550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID4059597

1-(tert-Butoxycarbonyl)-3,3-dimethylproline

C12H21NO4

HCID21866158

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C)(C)C1C(=O)N1CCCC1C(=O)NCc1cc(Cl)ccc1-n1cnnn1

HCID178451860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14c6c861901e478a9ea179e5d620e8e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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