Acetate → HCID 72297422, compound

HRID 1125332Notes

Reaction equation

HRID 1125332 reaction equation
[C:38](=[O:39])([OH:40])[O-:41].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH3:47][B:48]([OH:49])[OH:50].[CH3:64][OH:65].[Cl:51][CH2:52][Cl:53].[Cs+:46].[F-:45].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[c:9]3[c:10]([cH:15][c:16]4[c:21]([cH:22]3)[CH2:20][CH2:19][CH2:18][CH2:17]4)[NH:11][CH2:12][CH2:13][CH2:14]2)[c:23]2[n:24][n:25][n:26]([CH3:28])[n:27]2)[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37].[I:43][Cl:44].[Na+:42].[OH2:54].[Pd+2:59]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[c:9]3[c:10]([c:15]([CH3:38])[c:16]4[c:21]([cH:22]3)[CH2:20][CH2:19][CH2:18][CH2:17]4)[NH:11][CH2:12][CH2:13][CH2:14]2)[c:23]2[n:24][n:25][n:26]([CH3:28])[n:27]2)[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37]

Participants

13

Reactant 12

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 24640Iodine chlorideHCID 28179Fluoride IonHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 139377Methylboronic AcidHCID 72297306HCID 72297306, compound

Product 1

HCID 72297422HCID 72297422, compound

Sources & evidence

ORD record
ord-2044ccbc5cde4e7b822abb736aab1689
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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