Acetate → HCID 59130441, compound

HRID 1574407Notes

Reaction equation

HRID 1574407 reaction equation
[CH2:84]([OH:85])[CH2:86][CH3:87].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:70]([Cl:71])([Cl:72])[Cl:73].[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([Br:28])[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:25][CH2:26][CH3:27])[n:14]2[CH2:15][CH2:16][CH2:17][O:18][NH:19][C:20]([CH:21]([CH3:22])[CH3:23])=[O:24].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[OH2:83].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Pd+2:74].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:25][CH2:26][CH3:27])[n:14]2[CH2:15][CH2:16][CH2:17][O:18][NH:19][C:20]([CH:21]([CH3:22])[CH3:23])=[O:24]

Participants

12

Reactant 11

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 1140TolueneHCID 6212ChloroformHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59130465HCID 59130465, compound

Product 1

HCID 59130441HCID 59130441, compound

Sources & evidence

ORD record
ord-558265fcdd6b44b9915621f4bb4f5e4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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