Acetate → HCID 47151341, compound

HRID 1221044Notes

Reaction equation

HRID 1221044 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[CH2:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[N:62]1[CH2:63][CH:64]([NH2:67])[CH2:65][CH2:66]1.[Cl:47][c:48]1[n:49][c:50]([Cl:54])[cH:51][n:52][cH:53]1.[Cs+:72].[Cs+:73].[O-:81][C:82]([CH3:83])=[O:84].[O-:85][C:86]([CH3:87])=[O:88].[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[OH2:89].[Pd+2:80].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:48]1([NH:67][CH:64]2[CH2:63][N:62]([CH2:55][c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[CH2:66][CH2:65]2)[n:49][c:50]([Cl:54])[cH:51][n:52][cH:53]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 785042,6-DichloropyrazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 27566131-Benzyl-3-aminopyrrolidine

Product 1

HCID 47151341HCID 47151341, compound

Sources & evidence

ORD record
ord-7149040ce0c041db912a144271ae71be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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