HRID184905

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+

HCID498716

未命名化合物

HCID9837752

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

C9H14N2O4S

结构：CC(C)N(Cc1c(F)cccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C=O)CC2)cc1

HCID18678525

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(Cc1c(F)cccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNCC(O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1

HCID18678673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-449515d9713c43ee960916acd6f48a63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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