HRID1153105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

7 次

HCID1118

Sulfuric acid

H2O4S

HCID7237

o-Xylene

C8H10

HCID10943427

Benzenethiol, 2-[[2-(dimethylamino)ethyl]amino]-

C10H16N2S

HCID14855976

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(Sc2ccccc2NCCN(C)C)C(O)C(N)=O)cc1

HCID178491647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f641824d8024b66af9194c0cc7ef85a
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][cH:5][c:6]([CH:9]2[CH:10]([C:11](=[O:12])[NH2:13])[O:14]2)[cH:7][cH:8]1.[CH3:23][N:24]([CH2:25][CH2:26][NH:27][c:28]1[c:29]([SH:34])[cH:30][cH:31][cH:32][cH:33]1)[CH3:35].[CH3:48][OH:49].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[S:43]([OH:44])([OH:45])(=[O:46])=[O:47].[c:15]1([CH3:16])[c:17]([CH3:18])[cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([C:11](=[O:12])[NH2:13])[OH:14])[S:34][c:29]2[c:28]([NH:27][CH2:26][CH2:25][N:24]([CH3:23])[CH3:35])[cH:33][cH:32][cH:31][cH:30]2)[cH:7][cH:8]1