Water → 2-(3-Chloro-propyl)-benzo[b]thiophene

Reaction equation

[CH2:21]1[O:22][CH2:23][CH2:24][CH2:25]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[Cl:15][CH2:16][CH2:17][CH2:18][I:19].[Cu:26][I:27].[OH2:20].[s:6]1[c:7]2[c:8]([cH:9][cH:10]1)[cH:11][cH:12][cH:13][cH:14]2>>[s:6]1[c:7]2[c:8]([cH:9][c:10]1[CH2:18][CH2:17][CH2:16][Cl:15])[cH:11][cH:12][cH:13][cH:14]2

Participants

Reactant 6

HCID 962Water

HCID 7221Benzo(B)Thiophene

HCID 8028Tetrahydrofuran

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

HCID 813631-Chloro-3-iodopropane

HCID 178418339Butyllithium

Product 1

HCID 152125492-(3-Chloro-propyl)-benzo[b]thiophene

Sources & evidence

ORD record: ord-e4f70953832f41588c7233a49c969d92
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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