HRID180415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID614

DL-Proline

C5H9NO2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID21639

2-Amino-1-(4-bromophenyl)ethanone

C8H8BrNO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID268472

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)c1ccc(Br)cc1

HCID58310150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-407bda49436d4698b37c9584f0f90a09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:22](=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[N:29]1[CH:30]([C:31](=[O:32])[OH:33])[CH2:34][CH2:35][CH2:36]1.[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH:13]([N:14]([CH2:15][CH3:16])[CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[Cl:61][CH2:62][Cl:63].[ClH:1].[ClH:52].[NH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([Br:12])[cH:10][cH:11]1.[OH2:47].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1.[OH:53][C:54]([CH:55]1[NH:56][CH2:57][CH2:58][CH2:59]1)=[O:60]>>[NH:2]([CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([Br:12])[cH:10][cH:11]1)[C:31]([CH:30]1[N:29]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:36][CH2:35][CH2:34]1)=[O:32]