Acetate → HCID 58082370, compound

HRID 1237654Notes

Reaction equation

HRID 1237654 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][n:8][c:9]([NH:12][CH:13]3[CH2:14][CH2:15][CH:16]([OH:19])[CH2:17][CH2:18]3)[n:10][c:11]12.[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:36][S:37](=[O:38])(=[O:39])[N:40]1[CH2:41][CH:42]=[CH:43][CH2:44]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[OH2:45].[Pd+2:46]>>[c:2]1([C:42]2=[CH:41][N:40]([S:37]([CH3:36])(=[O:38])=[O:39])[CH2:44][CH2:43]2)[cH:3][cH:4][cH:5][c:6]2[cH:7][n:8][c:9]([NH:12][CH:13]3[CH2:14][CH2:15][CH:16]([OH:19])[CH2:17][CH2:18]3)[n:10][c:11]12

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 154087841-(Methanesulfonyl)-2,5-dihydro-1H-pyrroleHCID 58082330trans-4-[(8-Bromoquinazolin-2-yl)amino]cyclohexanol

Product 1

HCID 58082370HCID 58082370, compound

Sources & evidence

ORD record
ord-10840c5ace6f443397f420cec93edbf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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