Acetonitrile → HCID 86610921, compound

HRID 695452Notes

Reaction equation

HRID 695452 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[Br:39].[CH3:46][C:47]#[N:48].[Cs+:44].[Cs+:45].[OH:1][CH:2]([CH2:3][N:4]([C:5](=[O:6])[c:7]1[c:8](-[c:16]2[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]2)[n:9][c:10]([N:13]([CH3:14])[CH3:15])[n:11][cH:12]1)[CH3:24])[c:25]1[cH:26][c:27]([OH:31])[cH:28][cH:29][cH:30]1>>[OH:1][CH:2]([CH2:3][N:4]([C:5](=[O:6])[c:7]1[c:8](-[c:16]2[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]2)[n:9][c:10]([N:13]([CH3:14])[CH3:15])[n:11][cH:12]1)[CH3:24])[c:25]1[cH:26][c:27]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:28][cH:29][cH:30]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 7498Benzyl BromideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 86610922HCID 86610922, compound

Product 1

HCID 86610921HCID 86610921, compound

Sources & evidence

ORD record
ord-92899a618af34f3fbb63c33ceabe8273
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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