Water → HCID 86626256, compound

HRID 1560379Notes

Reaction equation

HRID 1560379 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[Cl:11][CH2:12][C:13]#[C:14][CH2:15][NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][cH:9][nH:10]2.[Cs+:28].[Cs+:29].[OH2:35]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][cH:9][n:10]2[CH2:12][C:13]#[C:14][CH2:15][NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 53706954-chloro-5H-pyrrolo[3,2-d]pyrimidineHCID 14561224tert-Butyl (4-chlorobut-2-yn-1-yl)carbamate

Product 1

HCID 86626256HCID 86626256, compound

Sources & evidence

ORD record
ord-1b79865d87c24c1d9703ce0e3e5d3ef7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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