Acetate → HCID 12886501, compound

HRID 696263Notes

Reaction equation

HRID 696263 reaction equation
[Br:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[C:14](=[O:15])([O-:16])[O-:17].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[N:49]([CH3:50])[CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:78][CH2:79][Cl:80].[Cs+:18].[Cs+:19].[NH2:1][CH:2]([CH2:3][C:4]#[N:5])[CH3:6].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH:20][B:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[OH:28].[Pd+2:69]>>[NH:1]([CH:2]([CH2:3][C:4]#[N:5])[CH3:6])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 1140TolueneHCID 6344DichloromethaneHCID 7961BromobenzeneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 123366Butyronitrile, 3-amino-HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl

Product 1

HCID 12886501HCID 12886501, compound

Sources & evidence

ORD record
ord-5c4671b823d543dfaa05a7b16297a251
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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