HRID203240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID7063844

3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one

C8H12N2O

HCID67466686

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(Cl)cc3c2cnn3C2CCCC2)c(=O)[nH]1

HCID54597231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11e72c91a57540cf97b80678218a74f8
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

[CH3:20][CH2:21][OH:22].[CH3:25][S:26]([CH3:27])=[O:28].[Cl:1][c:2]1[cH:3][c:4]([C:16]([O:18][CH3:17])=[O:19])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[cH:10]1.[NH2:62][CH2:63][c:64]1[c:65](=[O:72])[nH:66][c:67]([CH3:71])[cH:68][c:69]1[CH3:70].[Na+:24].[OH-:23].[OH2:73].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][P+:38]([N:39]2[CH2:40][CH2:41][CH2:42][CH2:43]2)([N:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[cH:3][c:4]([C:16](=[O:18])[NH:62][CH2:63][c:64]2[c:65](=[O:72])[nH:66][c:67]([CH3:71])[cH:68][c:69]2[CH3:70])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[cH:10]1