HRID1214647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID86078

tert-butyl tyrosinate

C13H19NO3

HCID22138787

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(CCCCCC)C1=NS(=O)(=O)N=C1NC(Cc1ccc(O)cc1)C(=O)OC(C)(C)C

HCID178444781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af0b4695071b45c48bd4f67306eedc37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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