HRID179345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1118

Sulfuric acid

H2O4S

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

结构：CC(C)(C)OC(=O)NCCCC(NC(=O)OCc1ccccc1)C(=O)O

HCID333627

N-Cbz-N'-Boc-L-ornithine

C18H26N2O6

HCID10290764

1-Methyl-1H-pyrazole-4,5-diamine

C4H8N4

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)c1N

HCID178481891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef42a26a31b14e7885c3beabf1e8c7c1
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

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