HRID300097

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

HCID18946151

tert-Butyl 4-aminoazepane-1-carboxylate

C11H22N2O2

HCID21942218

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(NC(=O)C2CCC3CN2C(=O)N3OCc2ccccc2)CC1

HCID178451980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c58113571daa4538ac3b42f8906d62cc
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

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