HRID690415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID46475

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H15N

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1

HCID2795531

2-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

C14H20N2O4S

PRODUCTS

生成物

结构：CN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)C1CCCc2ccccc21

HCID178485562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-955bdeb052d44b7a82ed1999b477b625
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])([OH:3])[c:4]1[n:5][c:6]([CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[s:7][cH:8]1.[CH3:23][N:24]([CH3:25])[CH2:26][CH2:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH3:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][NH:42][CH:43]1[CH2:44][CH2:45][CH2:46][c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]21.[Cl:53][CH2:54][Cl:55].[ClH:22]>>[C:1](=[O:3])([c:4]1[n:5][c:6]([CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[s:7][cH:8]1)[N:42]([CH3:41])[CH:43]1[CH2:44][CH2:45][CH2:46][c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]21