Acetate → HCID 67390628, compound

HRID 201765Notes

Reaction equation

HRID 201765 reaction equation
[C:75](=[O:76])([O-:77])[O-:78].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([NH:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[n:11][cH:12][cH:13]2)[cH:7]1.[Cs+:79].[Cs+:80].[NH2:21][c:22]1[cH:23][cH:24][cH:25][c:26]([F:27])[cH:28]1.[O-:89][C:90]([CH3:91])=[O:92].[O-:93][C:94]([CH3:95])=[O:96].[Pd+2:88].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][cH:25][c:26]([F:27])[cH:28]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([NH:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[n:11][cH:12][cH:13]2)[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 97423-FluoroanilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 86646778HCID 86646778, compound

Product 1

HCID 67390628HCID 67390628, compound

Sources & evidence

ORD record
ord-a114e39ca2694a37b931187fe9bef32f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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