Water → 4,4-Dioctyl-4H-cyclopenta[2,1-b:3,4-b']dithiophene

HRID 172663Notes

Reaction equation

HRID 172663 reaction equation
[Cl:34][CH2:35][Cl:36].[OH2:37].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5].[s:6]1[c:7](-[c:29]2[s:30][cH:31][cH:32][cH:33]2)[c:8]([C:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[OH:28])[cH:9][cH:10]1>>[s:6]1[c:7]2[c:8]([cH:9][cH:10]1)[C:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[c:33]1[c:29]-2[s:30][cH:31][cH:32]1

Participants

5

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 585680009-([2,2'-Bithiophen]-3-yl)heptadecan-9-ol

Product 1

HCID 595825444,4-Dioctyl-4H-cyclopenta[2,1-b:3,4-b']dithiophene

Sources & evidence

ORD record
ord-52b7cef76d7e4e73a783d2e4e94cfad2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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