HRID2335392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID18455622

5-(2-hydroxyethoxy)-1H-indole-2-carboxylic acid

C11H11NO4

HCID59451392

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cc4cc(OCCO)ccc4[nH]3)c2F)c1

HCID59451478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f54ee970654648f5a38ae341a2ec2f8e
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

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