Acetate → HCID 86596853, compound

HRID 1239943Notes

Reaction equation

HRID 1239943 reaction equation
[Br:30][c:31]1[cH:32][n:33][cH:34][cH:35][cH:36]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:60][C:61]#[N:62].[CH:37]([CH3:38])([CH3:39])[NH:40][n:41]1[c:42]([CH2:57][CH2:58][CH3:59])[n:43][c:44]2[c:45]([NH2:56])[n:46][c:47]3[cH:48][c:49]([CH:54]=[CH2:55])[cH:50][cH:51][c:52]3[c:53]12.[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[Pd+2:63].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[c:31]1([CH:55]=[CH:54][c:49]2[cH:48][c:47]3[n:46][c:45]([NH2:56])[c:44]4[n:43][c:42]([CH2:57][CH2:58][CH3:59])[n:41]([NH:40][CH:37]([CH3:38])[CH3:39])[c:53]4[c:52]3[cH:51][cH:50]2)[cH:32][n:33][cH:34][cH:35][cH:36]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 122863-BromopyridineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21075810HCID 21075810, compound

Product 1

HCID 86596853HCID 86596853, compound

Sources & evidence

ORD record
ord-9d70a7235d934b8e8bb649e45018109d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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