HRID1149366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

结构：CCOCCn1c(NC2CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID9940131

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID9940131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0204f66712a4e7fbacda809187dea2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]3)([CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31][c:32]5[c:33]([n:34]4[CH2:35][CH2:36][O:37][CH2:38][CH3:39])[cH:40][cH:41][cH:42][cH:43]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:44][c:45]([O:49][CH3:50])[c:46]1[O:47][CH3:48].[CH3:51][S:52]([OH:53])(=[O:54])=[O:55].[CH3:56][OH:57].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]3)([CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31][c:32]5[c:33]([n:34]4[CH2:35][CH2:36][O:37][CH2:38][CH3:39])[cH:40][cH:41][cH:42][cH:43]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:44][c:45]([O:49][CH3:50])[c:46]1[O:47][CH3:48].[CH3:51][S:52](=[O:53])(=[O:54])[OH:55]