Acetonitrile → HCID 67072194, compound

HRID 702467Notes

Reaction equation

HRID 702467 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:23]([CH3:24])[O:25][C:26]([C:27]([CH3:28])([CH3:29])[O:30][c:31]1[c:32]([CH3:38])[cH:33][c:34]([OH:37])[cH:35][cH:36]1)=[O:39].[CH3:46][C:47]#[N:48].[Cl:1][CH2:2][c:3]1[c:4]([CH2:19][CH2:20][O:21][CH3:22])[n:5][c:6](-[c:9]2[cH:10][n:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[n:7][cH:8]1.[Cs+:44].[Cs+:45]>>[CH2:2]([c:3]1[c:4]([CH2:19][CH2:20][O:21][CH3:22])[n:5][c:6](-[c:9]2[cH:10][n:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[n:7][cH:8]1)[O:37][c:34]1[cH:33][c:32]([CH3:38])[c:31]([O:30][C:27]([C:26]([O:25][CH2:23][CH3:24])=[O:39])([CH3:28])[CH3:29])[cH:36][cH:35]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 16756990Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoateHCID 21935855HCID 21935855, compound

Product 1

HCID 67072194HCID 67072194, compound

Sources & evidence

ORD record
ord-fd38a300053f404b975a83733de09215
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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