HRID88327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID61778

Bisulfate anion

HO4S-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：COC(=O)c1sc2ncnc(Nc3ccc(C(F)(F)F)nc3OC3CCOCC3)c2c1C

HCID46182174

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(C(F)(F)F)nc3OC3CCOCC3)c12

HCID46182175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e51bac1b9ac84ee682b037c0393d0c15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:68][N:69]([CH2:70][CH2:71][CH2:72][NH2:73])[CH3:74].[CH3:75][CH2:76][OH:77].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:83][CH2:84][Cl:85].[K+:91].[Na+:34].[O:1]1[CH2:2][CH2:3][CH:4]([O:7][c:8]2[n:9][c:10]([C:29]([F:30])([F:31])[F:32])[cH:11][cH:12][c:13]2[NH:14][c:15]2[c:16]3[c:17]([n:18][cH:19][n:20]2)[s:21][c:22]([C:25](=[O:26])[O:27][CH3:28])[c:23]3[CH3:24])[CH2:5][CH2:6]1.[OH-:33].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[S:86](=[O:87])(=[O:88])([OH:89])[O-:90].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[O:1]1[CH2:2][CH2:3][CH:4]([O:7][c:8]2[n:9][c:10]([C:29]([F:30])([F:31])[F:32])[cH:11][cH:12][c:13]2[NH:14][c:15]2[c:16]3[c:17]([n:18][cH:19][n:20]2)[s:21][c:22]([C:25](=[O:26])[NH:73][CH2:72][CH2:71][CH2:70][N:69]([CH3:68])[CH3:74])[c:23]3[CH3:24])[CH2:5][CH2:6]1