Acetonitrile → HCID 10279403, compound

HRID 666424Notes

Reaction equation

HRID 666424 reaction equation
[Br:34][CH2:35][CH:36]1[CH2:37][CH2:38]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][C:52]#[N:53].[Cl:1][c:2]1[cH:3][c:4]2[n:5]([c:6]([NH:8][CH:9]3[CH2:10][CH2:11]3)[cH:7]1)[n:12][c:13](-[c:27]1[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]1)[c:14]2-[c:15]1[n:16][c:17]([NH:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[n:18][cH:19][cH:20]1.[Cs+:43].[Cs+:44]>>[Cl:1][c:2]1[cH:3][c:4]2[n:5]([c:6]([NH:8][CH:9]3[CH2:10][CH2:11]3)[cH:7]1)[n:12][c:13](-[c:27]1[cH:28][cH:29][c:30]([O:33][CH2:35][CH:36]3[CH2:37][CH2:38]3)[cH:31][cH:32]1)[c:14]2-[c:15]1[n:16][c:17]([NH:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[n:18][cH:19][cH:20]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 81503BromomethylcyclopropaneHCID 104967Cesium cation2×HCID 135547859HCID 135547859, compound

Product 1

HCID 10279403HCID 10279403, compound

Sources & evidence

ORD record
ord-5d79c7688f0740a590efb1bf72e2e759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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