HRID1566543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID28123

Tetrahydroborate

H4B-

HCID13854269

未命名化合物

PRODUCTS

生成物

HCID19377230

3-(3-Bromopropyl)benzonitrile

C10H10BrN

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f94bdfe33954962a8cd7326c70543d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:27].[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:9][CH2:10][C:11]([OH:12])=[O:13])[cH:6][cH:7][cH:8]1.[C:30]([Br:31])([Br:32])([Br:33])[Br:34].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cl:21][C:22]([O:23][CH2:24][CH3:25])=[O:26].[Cl:59][CH2:60][Cl:61].[ClH:29].[Na+:28].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:9][CH2:10][CH2:11][Br:31])[cH:6][cH:7][cH:8]1