HRID134100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID19354

Methyl vinyl sulfone

C3H6O2S

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCN(C4CCNCC4)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID86703436

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCN(C4CCN(CCS(C)(=O)=O)CC4)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68350766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ba181f5ae1b4d8e9873fac569325b4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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