HRID702848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

3 次

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4436857

N-[(1,1-Dimethylethoxy)carbonyl]-N-methylalanine

C9H17NO4

HCID178458365

未命名化合物

PRODUCTS

生成物

结构：C=CCOc1cccc(CC(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(O)CCl)c1

HCID178458366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3634da88add446aaf9cce85894e6065
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]([CH:9]([CH3:10])[C:11](=[O:12])[OH:13])[CH3:14].[CH2:26]([CH:27]=[CH2:28])[O:29][c:30]1[cH:31][c:32]([CH2:36][CH:37]([CH:38]([CH2:39][Cl:40])[OH:41])[NH2:42])[cH:33][cH:34][cH:35]1.[CH2:52]([Cl:53])[CH2:54][Cl:55].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:58][CH2:59][Cl:60].[Cl:66][CH2:67][Cl:68].[ClH:25].[ClH:56].[ClH:57].[OH:15][n:16]1[c:17]2[c:18]([cH:19][cH:20][cH:21][cH:22]2)[n:23][n:24]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]([CH:9]([CH3:10])[C:11](=[O:13])[NH:42][CH:37]([CH2:36][c:32]1[cH:31][c:30]([O:29][CH2:26][CH:27]=[CH2:28])[cH:35][cH:34][cH:33]1)[CH:38]([CH2:39][Cl:40])[OH:41])[CH3:14]