Acetate → HCID 70670709, compound

HRID 98224Notes

Reaction equation

HRID 98224 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:12](=[O:13])[O:14][CH3:15])[cH:7][n:8][c:9]2[cH:10][cH:11]1.[C:69](=[O:70])([O-:71])[O-:72].[CH3:85][N:86]([CH3:87])[CH:88]=[O:89].[Cs+:73].[Cs+:74].[NH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[OH2:84].[Pd+2:75].[c:23]1(-[c:24]2[c:25]3[c:26]([cH:27][cH:28][cH:29][cH:30]3)[cH:31][cH:32][c:33]2[P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][c:55]1[P:56]([c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[c:2]1([NH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:3][c:4]2[cH:5][c:6]([C:12](=[O:13])[O:14][CH3:15])[cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 6115AnilineHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 53465709Methyl 6-bromoquinoline-3-carboxylate

Product 1

HCID 70670709HCID 70670709, compound

Sources & evidence

ORD record
ord-26cce91577d4415891af08670786cbc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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