HRID2139645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1049

Pyridine

C5H5N

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：O=C(NC1(C(=O)O)CCCCC1)OCC1c2ccccc2-c2ccccc21

HCID2756093

1-(Fmoc-amino)cyclohexanecarboxylic acid

C22H23NO4

HCID5250894

未命名化合物

HCID10487029

2,3-diaminobenzamide

C7H9N3O

PRODUCTS

生成物

结构：NC(=O)c1cccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCCCC2)c1N

HCID68508528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fd076aea53d4c05847fd912564bb453
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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