HRID304368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2755981

1-Boc-azetidine-3-carboxylic acid

C9H15NO4

结构：CC(Oc1ccc(C#N)cn1)C1CNCC1c1ccc(Cl)c(Cl)c1

HCID66999718

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ccc(C#N)cn1)C1CN(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1c1ccc(Cl)c(Cl)c1

HCID66999509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa1c233b7b834a48b0eeba55cb390bfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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