HRID166642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

HCID11687205

3-(2-Naphthyloxy)-1-chloropropane

C13H13ClO

结构：Fc1ccc(C(Nc2ccc(F)c(F)c2)C2CCNCC2)cc1

HCID19772031

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：Fc1ccc(C(Nc2ccc(F)c(F)c2)C2CCN(CCCOc3ccc4ccccc4c3)CC2)cc1

HCID19772012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a9f5d02e43c453c8a6125efdff0f75b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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