HRID2157471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID996

Phenol

C6H6O

HCID1140

Toluene

C7H8

HCID36336

1,4,7,10,13-Pentaoxacyclopentadecane

C10H20O5

HCID166653

Hydride

H-

HCID20565466

未命名化合物

PRODUCTS

生成物

结构：O=c1c(Oc2ccccc2)nc2ccccc2n1-c1ccc(Cl)cc1

HCID20565480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-538f16a645ba43be8ea5199507ba666d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:3]1[O:4][CH2:5][CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][O:16][CH2:17]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:25][c:26]1[c:27](=[O:43])[n:28](-[c:36]2[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35]1.[H-:1].[Na+:2].[OH2:51].[OH:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[O:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:26]1[c:27](=[O:43])[n:28](-[c:36]2[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35]1