Acetonitrile → HCID 57986908, compound

HRID 2138146Notes

Reaction equation

HRID 2138146 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:12]2[s:13][cH:14][c:15]([CH2:17][Cl:18])[n:16]2)[CH2:11]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][C:38]#[N:39].[Cs+:35].[Cs+:36].[n:19]1(-[c:24]2[cH:25][cH:26][c:27]([OH:30])[cH:28][cH:29]2)[n:20][n:21][n:22][cH:23]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:12]2[s:13][cH:14][c:15]([CH2:17][O:30][c:27]3[cH:26][cH:25][c:24](-[n:19]4[n:20][n:21][n:22][cH:23]4)[cH:29][cH:28]3)[n:16]2)[CH2:11]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5429104-(1H-1,2,3,4-tetrazol-1-yl)phenolHCID 57423799HCID 57423799, compound

Product 1

HCID 57986908HCID 57986908, compound

Sources & evidence

ORD record
ord-743fcfe451d842e0b42f3f7f1fb6a91b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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