Water → HCID 70254608, compound

HRID 2328860Notes

Reaction equation

HRID 2328860 reaction equation
[Br:22][CH2:23][c:24]1[c:25]([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:26][cH:27][cH:28][cH:29]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][C:2]1([CH3:21])[NH:3][C:4](=[O:20])[N:5]([c:8]2[cH:9][c:10]([C:16]([F:17])([F:18])[F:19])[c:11]([C:12]#[N:13])[cH:14][cH:15]2)[C:6]1=[O:7].[CH3:45][C:46]#[N:47].[Cs+:42].[Cs+:43].[OH2:44]>>[CH3:1][C:2]1([CH3:21])[N:3]([CH2:23][c:24]2[c:25]([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:26][cH:27][cH:28][cH:29]2)[C:4](=[O:20])[N:5]([c:8]2[cH:9][c:10]([C:16]([F:17])([F:18])[F:19])[c:11]([C:12]#[N:13])[cH:14][cH:15]2)[C:6]1=[O:7]

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 10469205tert-Butyl [2-(bromomethyl)phenyl]carbamateHCID 111622854-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile

Product 1

HCID 70254608HCID 70254608, compound

Sources & evidence

ORD record
ord-2dbaa739633042288f80fb4fb911b95e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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