HRID1120166

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+

HCID66832001

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(Cc2cccc(F)c2F)n1

HCID66831989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d56c7d4b9d5d4a5fa1ae5b822ce0e4d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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