HRID99279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID77379

5-Chloro-1H-indole-3-ethylamine

C10H11ClN2

HCID4641409

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

C10H15N6O+

结构：CCOC(=O)c1noc(Cc2ccc(OC(F)(F)F)cc2)n1

HCID66832172

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(Cc2ccc(OC(F)(F)F)cc2)n1

HCID66831883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-238c94cb56ca4a4d85ac94fd8c0e2c8d
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

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