HRID212406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID10899

1-Chloropropane

C3H7Cl

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

结构：CC1(C(O)C(Cc2ccc(Cl)cc2)n2cncn2)COCOC1

HCID12855654

未命名化合物

PRODUCTS

生成物

结构：CCCOC(C(Cc1ccc(Cl)cc1)n1cncn1)C1(C)COCOC1

HCID12855655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1881010e5d547e884e46e1269390004
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:1][C:2]1([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[n:18]2[n:19][cH:20][n:21][cH:22]2)[OH:23])[CH2:3][O:4][CH2:5][O:6][CH2:7]1.[Cl:24][CH2:25][CH2:26][CH3:27].[Na+:29].[OH-:28].[OH2:52].[S:30](=[O:31])(=[O:32])([OH:33])[O-:34]>>[CH3:1][C:2]1([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[n:18]2[n:19][cH:20][n:21][cH:22]2)[O:23][CH2:25][CH2:26][CH3:27])[CH2:3][O:4][CH2:5][O:6][CH2:7]1