Acetate → HCID 58835261, compound

HRID 677388Notes

Reaction equation

HRID 677388 reaction equation
[CH2:76]([OH:77])[CH2:78][CH3:79].[CH:71]([Cl:72])([Cl:73])[Cl:74].[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([Br:27])[cH:7][n:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:23][O:24][CH2:25][CH3:26])[n:14]2[CH2:15][CH2:16][CH2:17][O:18][N:19]=[C:20]([CH3:21])[CH3:22].[Na+:56].[Na+:57].[O-:58][C:59](=[O:60])[O-:61].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:75].[OH:28][B:29]([OH:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Pd+2:62].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:7][n:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:23][O:24][CH2:25][CH3:26])[n:14]2[CH2:15][CH2:16][CH2:17][O:18][N:19]=[C:20]([CH3:21])[CH3:22]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 6212ChloroformHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 58835286HCID 58835286, compound

Product 1

HCID 58835261HCID 58835261, compound

Sources & evidence

ORD record
ord-c4fee314a6094253bb5c1f2865728a41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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