HRID184661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25219596

1-{4-[(4-Methylcyclohexyl)amino]piperidin-1-yl}ethan-1-one

C14H26N2O

HCID57481428

Ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfanyl]propanoate

C8H12N2O2S2

结构：CCOC(=O)CCSc1cnc(NC(=O)N(C2CCC(C)CC2)C2CCN(C(C)=O)CC2)s1

HCID86611221

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(N(C(=O)Nc2ncc(SCCC(=O)O)s2)C2CCC(C)CC2)CC1

HCID57883906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d8098d80e0f43bb9f2ddf4b0d83d339
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

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