HRID1563573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID67464828

未命名化合物

结构：CN(C(=O)c1csc(C2CCNCC2)n1)C1CCCc2ccccc21

HCID69175811

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(CC)n(CC(=O)N2CCC(c3nc(C(=O)N(C)C4CCCc5ccccc54)cs3)CC2)n1

HCID178436387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e48329eef2c9459292c0fc0f9333e480
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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