Water → 1-(Cyclopentylthio)-3-iodo-5-methylbenzene

HRID 1556464Notes

Reaction equation

HRID 1556464 reaction equation
[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:85][N:86]1[CH2:87][CH2:88][CH2:89][C:90]1=[O:91].[CH:17]1([SH:22])[CH2:18][CH2:19][CH2:20][CH2:21]1.[I:1][c:2]1[cH:3][c:4]([I:9])[cH:5][c:6]([CH3:8])[cH:7]1.[O-:23][P:24](=[O:25])([O-:26])[O-:27].[O:30]=[C:31]([CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[OH2:84].[Pd:28].[Pd:29]>>[c:2]1([S:22][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:3][c:4]([I:9])[cH:5][c:6]([CH3:8])[cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 1061PhosphateHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 15510CyclopentanethiolHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 155057823,5-Diiodotoluene

Product 1

HCID 691197121-(Cyclopentylthio)-3-iodo-5-methylbenzene

Sources & evidence

ORD record
ord-511f535eb5e4414e99ad016e2124499f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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