HRID1222578

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+

HCID66831947

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(Cc2ccc(F)c(F)c2F)n1

HCID66831887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79726101a46342cb88ca41ae0fbf7ceb
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

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