Acetonitrile → HCID 67528381, compound

HRID 665773Notes

Reaction equation

HRID 665773 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:28][O:29][C:30]([CH2:31][c:32]1[cH:33][cH:34][c:35]([CH2:38][Br:39])[cH:36][cH:37]1)=[O:40].[CH3:47][C:48]#[N:49].[Cl:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]([CH:25]([CH3:26])[CH3:27])[c:13]2[CH2:14][O:15][c:16]2[cH:17][c:18]([CH3:24])[c:19]([NH:22][CH3:23])[cH:20][cH:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[Cs+:45].[Cs+:46]>>[Cl:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]([CH:25]([CH3:26])[CH3:27])[c:13]2[CH2:14][O:15][c:16]2[cH:17][c:18]([CH3:24])[c:19]([N:22]([CH3:23])[CH2:38][c:35]3[cH:34][cH:33][c:32]([CH2:31][C:30]([O:29][CH3:28])=[O:40])[cH:37][cH:36]3)[cH:20][cH:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 11770640Methyl 2-(4-(bromomethyl)phenyl)acetateHCID 67527941HCID 67527941, compound

Product 1

HCID 67528381HCID 67528381, compound

Sources & evidence

ORD record
ord-a6bf57d95dbb4e76876ecf2d7da893c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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