HRID118208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

结构：CCOC(=S)Nc1cc(Nc2ncc3c(n2)N(C(C)C)CC(=O)N3C)cc(S(C)(=O)=O)c1

HCID86640955

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(NC(=O)NC4CCC(NC(=O)OC(C)(C)C)CC4)cc(S(C)(=O)=O)c3)nc21

HCID59286116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f515457427c47c0bde1d2be217cc300
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38]([NH:39][CH:40]1[CH2:41][CH2:42][CH:43]([NH2:46])[CH2:44][CH2:45]1)=[O:47].[CH2:1]([O:3][C:4](=[S:2])[NH:5][c:6]1[cH:7][c:8]([NH:16][c:17]2[n:18][c:19]3[c:24]([cH:25][n:26]2)[N:23]([CH3:27])[C:22](=[O:28])[CH2:21][N:20]3[CH:29]([CH3:30])[CH3:31])[cH:9][c:10]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:11]1)[CH3:32].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[O:3]=[C:4]([NH:5][c:6]1[cH:7][c:8]([NH:16][c:17]2[n:18][c:19]3[c:24]([cH:25][n:26]2)[N:23]([CH3:27])[C:22](=[O:28])[CH2:21][N:20]3[CH:29]([CH3:30])[CH3:31])[cH:9][c:10]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:11]1)[NH:46][CH:43]1[CH2:42][CH2:41][CH:40]([NH:39][C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:47])[CH2:45][CH2:44]1