Acetone → 5'-Mercapto[1,1':3',1"-terphenyl]-2'-ol

HRID 165031

Reaction equation

HRID 165031 reaction equation
[CH2:23]([P:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[CH3:29].[CH3:30][C:31](=[O:32])[CH3:33].[OH2:34].[OH:1][c:2]1[c:3](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:4][c:5]([S:14][C:15]#[N:16])[cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[OH:1][c:2]1[c:3](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:4][c:5]([SH:14])[cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 27365TriethylphosphineHCID 138229422'-Hydroxy[1,1':3',1"-terphenyl]5'-yl thiocyanate

Product 1

HCID 149891685'-Mercapto[1,1':3',1"-terphenyl]-2'-ol

Sources & evidence

ORD record
ord-822a72de1b404f13bb04c7b6f28040e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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