HRID828904

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

HCID4295554

Ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate

C11H10N2O3

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(-c2ccccc2)n1

HCID66832007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e90f0ddcf5bb44abb6c3bc38a47be49e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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