Water → HCID 178429916, compound

HRID 2157174Notes

Reaction equation

HRID 2157174 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH3:1][CH:2]1[N:3]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[CH3:33][N:34]1[CH2:35][CH2:36][N:37]([CH3:38])[C:39]1=[O:40].[CH3:41][C:42]#[N:43].[Cs+:30].[Cs+:31].[F:16][c:17]1[c:18]([C:19]#[N:20])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[OH2:32]>>[CH3:1][CH:2]1[N:3]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:4][CH:5]([CH3:8])[N:6]([c:23]2[cH:22][cH:21][c:18]([C:19]#[N:20])[c:17]([F:16])[cH:24]2)[CH2:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6342AcetonitrileHCID 66611,3-Dimethyl-2-imidazolidinoneHCID 19660Carbonate IonHCID 775452,4-DifluorobenzonitrileHCID 104967Cesium cation2×HCID 22625934tert-Butyl 2,5-dimethylpiperazine-1-carboxylate

Product 1

HCID 178429916HCID 178429916, compound

Sources & evidence

ORD record
ord-d5639a6aa95648dc98eccdd8c9dd1099
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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