HRID1202902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15914

Phenyltrimethylammonium

C9H14N+

结构：COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)CN(C)C3

HCID12802080

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)CN(C)C3

HCID12802084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1180b6c16964680ac1e4ff9b30a697e
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

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