Acetonitrile → HCID 57800510, compound

HRID 2158400Notes

Reaction equation

HRID 2158400 reaction equation
[Br:25][CH2:26][c:27]1[n:28][o:29][c:30](-[c:32]2[cH:33][cH:34][c:35]([C:38]([CH3:39])([CH3:40])[CH3:41])[cH:36][cH:37]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.[CH3:42][C:43]#[N:44].[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[cH:33][cH:34][c:35]([C:38]([CH3:39])([CH3:40])[CH3:41])[cH:36][cH:37]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 67404825HCID 67404825, compoundHCID 674051552-propyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

Product 1

HCID 57800510HCID 57800510, compound

Sources & evidence

ORD record
ord-ba06a64054af4100a7a1a776fd1d17e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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