Acetonitrile → HCID 67072212, compound

HRID 1215800Notes

Reaction equation

HRID 1215800 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([OH:15])[cH:13][cH:14]1)=[O:17].[CH3:44][C:45]#[N:46].[Cl:18][CH2:19][c:20]1[c:21]([CH3:37])[n:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([O:32][C:33]([F:34])([F:35])[F:36])[cH:30][cH:31]2)[cH:24][cH:25]1.[Cs+:42].[Cs+:43]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([O:15][CH2:19][c:20]2[c:21]([CH3:37])[n:22][c:23](-[c:26]3[cH:27][cH:28][c:29]([O:32][C:33]([F:34])([F:35])[F:36])[cH:30][cH:31]3)[cH:24][cH:25]2)[cH:13][cH:14]1)=[O:17]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 16756990Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoateHCID 219357213-Chloromethyl-2-methyl-6-(4-trifluoromethoxy-phenyl)-pyridine

Product 1

HCID 67072212HCID 67072212, compound

Sources & evidence

ORD record
ord-054f16e013774ec188c2080f4586ed23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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