Acetate → HCID 67227354, compound

HRID 1238177Notes

Reaction equation

HRID 1238177 reaction equation
[Br:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][c:10]([F:12])[cH:11]1.[C:66](=[O:67])([O-:68])[O-:69].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[Cs+:70].[Cs+:71].[NH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[O-:80][C:81]([CH3:82])=[O:83].[O-:84][C:85]([CH3:86])=[O:87].[Pd+2:79].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[c:37]2-[c:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[cH:45][cH:46][c:47]2[P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[c:2]1([NH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][c:10]([F:12])[cH:11]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 6115AnilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 7210837Methyl 2-bromo-4-fluorobenzoate

Product 1

HCID 67227354HCID 67227354, compound

Sources & evidence

ORD record
ord-fe5713c606dd492a928d8ce59e974775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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