HRID202184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID21016568

4-Methylmorpholine-3-carboxylic acid

C6H11NO3

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN)c1

HCID59455974

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C2COCCN2C)c1

HCID59456050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05ddeab0b2704f6ba7cc758ad9fd466a
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

[CH3:2][N:3]1[CH:4]([C:9](=[O:10])[OH:11])[CH2:5][O:6][CH2:7][CH2:8]1.[CH3:76][C:77]#[N:78].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:79][CH2:80][Cl:81].[ClH:1].[ClH:45].[NH2:46][CH2:47][c:48]1[cH:49][c:50]([CH2:54][n:55]2[n:56][c:57]([NH:66][S:67](=[O:68])(=[O:69])[c:70]3[s:71][c:72]([Cl:75])[cH:73][cH:74]3)[c:58]3[c:59]([O:64][CH3:65])[cH:60][cH:61][cH:62][c:63]23)[cH:51][cH:52][cH:53]1.[OH2:82].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[CH3:2][N:3]1[CH:4]([C:9](=[O:11])[NH:46][CH2:47][c:48]2[cH:49][c:50]([CH2:54][n:55]3[n:56][c:57]([NH:66][S:67](=[O:68])(=[O:69])[c:70]4[s:71][c:72]([Cl:75])[cH:73][cH:74]4)[c:58]4[c:59]([O:64][CH3:65])[cH:60][cH:61][cH:62][c:63]34)[cH:51][cH:52][cH:53]2)[CH2:5][O:6][CH2:7][CH2:8]1