Acetonitrile → HCID 59410233, compound

HRID 1122641Notes

Reaction equation

HRID 1122641 reaction equation
[Br:38][CH2:39][CH2:40][CH2:41][OH:42].[C:32](=[O:33])([O-:34])[O-:35].[CH3:43][C:44]#[N:45].[Cl:1][c:2]1[c:3](-[c:23]2[c:24]([CH3:31])[cH:25][c:26]([C:29]#[N:30])[n:27][cH:28]2)[cH:4][c:5]([S:9](=[O:10])(=[O:11])[N:12]2[c:13]3[c:14]([cH:19][cH:20][cH:21][cH:22]3)[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:6]([OH:8])[cH:7]1.[Cs+:36].[Cs+:37]>>[Cl:1][c:2]1[c:3](-[c:23]2[c:24]([CH3:31])[cH:25][c:26]([C:29]#[N:30])[n:27][cH:28]2)[cH:4][c:5]([S:9](=[O:10])(=[O:11])[N:12]2[c:13]3[c:14]([cH:19][cH:20][cH:21][cH:22]3)[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:6]([O:8][CH2:39][CH2:40][CH2:41][OH:42])[cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 123083-Bromo-1-propanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 59410232HCID 59410232, compound

Product 1

HCID 59410233HCID 59410233, compound

Sources & evidence

ORD record
ord-38e47f95e6314f889bb61d7ebd6997fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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