HRID689296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8025

Ethyl formate

C3H6O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(COc2ccc(S(=O)(=O)NC3CCNCC3(C)C(=O)NOC(C)(C)C)cc2)c2ccccc2n1

HCID178426774

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(COc2ccc(S(=O)(=O)NC3CCN(C=O)CC3(C)C(=O)NOC(C)(C)C)cc2)c2ccccc2n1

HCID178426778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73f044bbd0034cea8d126e7e3d8381e2
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][NH:6][C:7](=[O:8])[C:9]1([CH3:38])[CH2:10][NH:11][CH2:12][CH2:13][CH:14]1[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][c:27]2[cH:28][c:29]([CH3:37])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[cH:23][cH:24]1.[CH3:53][OH:54].[CH:39](=[O:40])[O:41][CH2:42][CH3:43].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][NH:6][C:7](=[O:8])[C:9]1([CH3:38])[CH2:10][N:11]([CH:39]=[O:40])[CH2:12][CH2:13][CH:14]1[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][c:27]2[cH:28][c:29]([CH3:37])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[cH:23][cH:24]1