HRID2344750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1068

Dimethyl sulfide

C2H6S

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

结构：NC(=O)C1CCc2cc(S(=O)(=O)Nc3ccc(-n4nnn(CCCC5CCCC5)c4=O)cc3)ccc2O1

HCID20798319

未命名化合物

PRODUCTS

生成物

结构：NCC1CCc2cc(S(=O)(=O)Nc3ccc(-n4nnn(CCCC5CCCC5)c4=O)cc3)ccc2O1

HCID15462820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87a3ac83da5242f084f5ff8b6fccd33d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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