HRID946142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID11668

Ethanesulfonic acid

C2H6O3S

HCID15413

Methyl tert-butyl ether

C5H12O

结构：COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1

HCID178497200

未命名化合物

PRODUCTS

生成物

HCID11668

Ethanesulfonic acid

C2H6O3S

HCID178497200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7248494dffcd48aab032809cf7026b96
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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