HRID700546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2756483

tert-Butyl 3-(aminomethyl)piperidine-1-carboxylate

C11H22N2O2

结构：O=C(O)CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11004508

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(CNC(=O)CCNC(=O)CNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1

HCID178451876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6088c305b6c346cd871ae1758a9579ee
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

[CH2:60]([N:61]=[C:62]=[N:63][CH2:64][CH2:65][CH2:66][N:67]([CH3:68])[CH3:69])[CH3:70].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH3:80][CH2:81][N:82]([CH2:83][CH3:84])[CH2:85][CH3:86].[CH:76]([Cl:77])([Cl:78])[Cl:79].[ClH:59].[NH2:1][CH2:2][CH:3]1[CH2:4][N:5]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:6][CH2:7][CH2:8]1.[OH2:48].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1.[c:16]1([C:22]([CH2:23][C:24](=[O:25])[NH:26][CH2:27][C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][N:5]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:6][CH2:7][CH2:8]1)[C:33]([CH2:32][CH2:31][NH:30][C:28]([CH2:27][NH:26][C:24]([CH2:23][C:22]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:25])=[O:29])=[O:34]