Acetate → HCID 53780077, compound

HRID 2317947Notes

Reaction equation

HRID 2317947 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][CH2:25][Cl:26].[CH3:38][S:39][c:40]1[cH:41][cH:42][c:43]([CH:44]=[CH2:45])[cH:46][cH:47]1.[CH3:57][C:58]#[N:59].[CH3:60][S:61]([CH3:62])=[O:63].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH2:34][Cl:35])([CH3:36])[CH3:37].[ClH:19].[ClH:27].[Pd+2:52]>>[c:2]1([CH:45]=[CH:44][c:43]2[cH:42][cH:41][c:40]([S:39][CH3:38])[cH:47][cH:46]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 6342AcetonitrileHCID 73122-(Diisopropylamino)ethyl chlorideHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5916034-methylthiostyreneHCID 21293346HCID 21293346, compound

Product 1

HCID 53780077HCID 53780077, compound

Sources & evidence

ORD record
ord-4e4465a16b2c40bbb9322b18f1a3c60b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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