HRID282546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

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

结构：CC(C)n1ncc2c(C(=O)O)cc(N3CCN(C)CC3)nc21

HCID68295484

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(N3CCN(C)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68350880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66cc0dc2c4464b53bab45b23e0220a9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:72][S:73]([CH3:74])=[O:75].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][c:10]([N:16]1[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]1)[cH:11][c:12]2[C:13](=[O:14])[OH:15].[Cl:76][CH2:77][Cl:78].[NH2:23][CH2:24][c:25]1[c:26](=[O:33])[nH:27][c:28]([CH3:32])[cH:29][c:30]1[CH3:31].[Na+:71].[O-:67][C:68]([OH:69])=[O:70].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][P+:43]([N:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)([N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)[N:54]2[CH2:55][CH2:56][CH2:57][CH2:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][c:10]([N:16]1[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]1)[cH:11][c:12]2[C:13](=[O:15])[NH:23][CH2:24][c:25]1[c:26](=[O:33])[nH:27][c:28]([CH3:32])[cH:29][c:30]1[CH3:31]