HRID668097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID283

Formic acid, ion(1-)

CHO2-

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID22138859

未命名化合物

结构：CCOC1=NS(=O)(=O)N=C1NC(Cc1ccc(O)cc1)C(=O)OC(C)(C)C

HCID178467514

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(NC(=O)NCCNC2=NS(=O)(=O)N=C2NC(Cc2ccc(O)cc2)C(=O)OC(C)(C)C)c1

HCID178425604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5f7bf382e4b48caa0e1edf4f6332dd2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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