HRID1225918

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+

HCID66832124

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC)c(Cc2nc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)no2)c1

HCID49869045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9caa25f2ec9b4ebebe8af719b1d0dfec
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

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