Acetonitrile → HCID 57800503, compound

HRID 700099Notes

Reaction equation

HRID 700099 reaction equation
[Br:25][CH2:26][c:27]1[n:28][o:29][c:30](-[c:32]2[s:33][cH:34][cH:35][cH:36]2)[n:31]1.[C:19](=[O:20])([O-:21])[O-:22].[CH2:1]([CH2:2][CH3:3])[c:4]1[nH:5][c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1.[CH3:37][C:38]#[N:39].[Cs+:23].[Cs+:24]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5]([CH2:26][c:27]2[n:28][o:29][c:30](-[c:32]3[s:33][cH:34][cH:35][cH:36]3)[n:31]2)[c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 594028453-(Bromomethyl)-5-(2-thienyl)-1,2,4-oxadiazoleHCID 674051552-propyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

Product 1

HCID 57800503HCID 57800503, compound

Sources & evidence

ORD record
ord-94e73994ba2f4510b6f832835a71e6cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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