HRID124726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID335255

1-(tert-Butoxycarbonyl)-4-hydroxyproline

C10H17NO5

HCID57423953

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(O)CC1C(=O)N1CCCN(C2CCC2)CC1

HCID75077680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04e6b68c3bbd4af3a42edca47839650d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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