Acetate → HCID 46833796, compound

HRID 308129Notes

Reaction equation

HRID 308129 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[N:16]2[CH2:17][NH:18][C:19](=[O:21])[CH2:20]2)[s:5][c:6]1-[c:7]1[cH:8][c:9]([Cl:13])[cH:10][cH:11][cH:12]1.[C:22](#[N:23])[c:24]1[cH:25][c:26]([B:31]([OH:32])[OH:33])[cH:27][cH:28][c:29]1[F:30].[C:34](=[O:35])([O-:36])[O-:37].[CH3:74][O:75][CH2:76][CH2:77][O:78][CH3:79].[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[c:55]([CH:56]([CH3:57])[CH3:58])[cH:59][c:60]([CH:61]([CH3:62])[CH3:63])[cH:64][c:65]2[CH:66]([CH3:67])[CH3:68])[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[Cs+:38].[Cs+:39].[O-:81][C:82]([CH3:83])=[O:84].[O-:85][C:86]([CH3:87])=[O:88].[Pd+2:80]>>[c:2]1(-[c:26]2[cH:25][c:24]([C:22]#[N:23])[c:29]([F:30])[cH:28][cH:27]2)[cH:3][c:4]([C:14](=[O:15])[N:16]2[CH2:17][NH:18][C:19](=[O:21])[CH2:20]2)[s:5][c:6]1-[c:7]1[cH:8][c:9]([Cl:13])[cH:10][cH:11][cH:12]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27579643-Cyano-4-fluorophenylboronic acidHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 580667401-{[4-Bromo-5-(3-chlorophenyl)thiophen-2-yl]carbonyl}imidazolidin-4-one

Product 1

HCID 46833796HCID 46833796, compound

Sources & evidence

ORD record
ord-0c3d959ca6854a1d9f233456d0b7123b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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