HRID1224663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID55185271

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(Cc2ccccc2F)n1

HCID66831749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ce9916ea6184356bd9540d93b2ba849
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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