Acetate → HCID 44178123, compound

HRID 205819Notes

Reaction equation

HRID 205819 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([N:13]3[CH2:14][C:15](=[O:20])[N:16]([CH3:19])[CH2:17][CH2:18]3)[s:12]2)[n:7]1.[C:75](=[O:76])([O-:77])[O-:78].[C:88]([O-:89])(=[O:90])[CH3:91].[C:93]([O-:94])(=[O:95])[CH3:96].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Cs+:79].[Cs+:80].[NH2:21][c:22]1[n:23][cH:24][cH:25][c:26]([CH3:28])[cH:27]1.[OH2:97].[Pd+2:92].[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[n:23][cH:24][cH:25][c:26]([CH3:28])[cH:27]2)[cH:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([N:13]3[CH2:14][C:15](=[O:20])[N:16]([CH3:19])[CH2:17][CH2:18]3)[s:12]2)[n:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 15332-Amino-4-methylpyridineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 58706639HCID 58706639, compound

Product 1

HCID 44178123HCID 44178123, compound

Sources & evidence

ORD record
ord-acb92bf87ee2414782c87a5b26d43c05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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