HRID2333529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6422

未命名化合物

HCID8025

Ethyl formate

C3H6O2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID91219845

未命名化合物

PRODUCTS

生成物

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

HCID178426779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-debb1858075342ae8330d0e0637e40cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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