HRID317178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8071

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：COCCOc1cc2ncnc(Nc3cccc(C#CC(C)(C)O)c3)c2cc1OCCOC

HCID9868438

未命名化合物

PRODUCTS

生成物

HCID112236

3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-

C11H13NO

HCID11289942

4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline

C14H17ClN2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf553769ef4f49ebad3d7cc0568c5710
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:2]([N+:3]([CH2:4][CH2:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18].[CH2:79]([CH2:80][O:81][CH3:82])[O:83][CH3:84].[CH3:25][O:26][CH2:27][CH2:28][O:29][c:30]1[cH:31][c:32]2[c:33]([NH:45][c:46]3[cH:47][c:48]([C:52]#[C:53][C:54]([CH3:55])([OH:56])[CH3:57])[cH:49][cH:50][cH:51]3)[n:34][cH:35][n:36][c:37]2[cH:38][c:39]1[O:40][CH2:41][CH2:42][O:43][CH3:44].[CH3:58][CH:59]([OH:60])[CH3:61].[CH3:62][C:63]#[N:64].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH3:85][CH2:86][O:87][CH2:88][CH3:89].[CH:65]([Cl:66])([Cl:67])[Cl:68].[Cl:69][CH2:70][Cl:71].[ClH:24].[F-:1].[O:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1>>[Cl:24][c:33]1[c:32]2[cH:31][c:30]([O:29][CH2:28][CH2:27][O:26][CH3:25])[c:39]([O:40][CH2:41][CH2:42][O:43][CH3:44])[cH:38][c:37]2[n:36][cH:35][n:34]1.[NH2:45][c:46]1[cH:47][c:48]([C:52]#[C:53][C:54]([CH3:55])([OH:56])[CH3:57])[cH:49][cH:50][cH:51]1