HRID164103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6399

Methyltrichlorosilane

CH3Cl3Si

HCID30165

Iodide ion

I-

HCID498716

未命名化合物

HCID9837752

N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulfonamide

C9H14N2O4S

结构：COC(Cc1ccc(NC2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1)OC

HCID18173830

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1cc(C(O)CNCCc2ccc(NC3CCN(c4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)cc2)ccc1O

HCID70009477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f0e2b0f7cd84d04b61a16881f81bcfd
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

[C:62]([BH3-:63])#[N:64].[CH3:1][O:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[N:27]4[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:22][cH:23]3)[CH2:16][CH2:17]2)[cH:9][cH:10]1)[O:33][CH3:34].[CH3:42][C:43](=[O:44])[OH:45].[CH3:66][C:67]#[N:68].[CH3:69][OH:70].[Cl:37][Si:38]([Cl:39])([Cl:40])[CH3:41].[Cl:71][CH2:72][Cl:73].[I-:36].[NH2:46][CH2:47][CH:48]([OH:49])[c:50]1[cH:51][cH:52][c:53]([OH:61])[c:54]([NH:56][S:57](=[O:58])(=[O:59])[CH3:60])[cH:55]1.[Na+:35].[Na+:65]>>[CH2:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[N:27]4[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:22][cH:23]3)[CH2:16][CH2:17]2)[cH:9][cH:10]1)[NH:46][CH2:47][CH:48]([OH:49])[c:50]1[cH:51][cH:52][c:53]([OH:61])[c:54]([NH:56][S:57](=[O:58])(=[O:59])[CH3:60])[cH:55]1