HRID206767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

HCID2762732

(4-Methylpiperazin-1-yl)acetic acid

C7H14N2O2

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

反应SMILES：O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC[NH2+]Cc1cc(F)ccc1-3

HCID178524107

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(CC(=O)N2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(F)cc3C2)CC1

HCID68510636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1ebe50fedddf478790085357e13dfd53
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

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