Acetonitrile → HCID 9806292, compound

HRID 1227115Notes

Reaction equation

HRID 1227115 reaction equation
[Br:41][CH2:42][CH:43]1[CH2:44][CH2:45]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][C:53]#[N:54].[CH:1]1([NH:6][c:7]2[cH:8][cH:9][cH:10][c:11]3[n:12]2[n:13][c:14](-[c:28]2[cH:29][c:30]([OH:34])[cH:31][cH:32][cH:33]2)[c:15]3-[c:16]2[n:17][c:18]([NH:22][CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[n:19][cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cs+:39].[Cs+:40]>>[CH:1]1([NH:6][c:7]2[cH:8][cH:9][cH:10][c:11]3[n:12]2[n:13][c:14](-[c:28]2[cH:29][c:30]([O:34][CH2:42][CH:43]4[CH2:44][CH2:45]4)[cH:31][cH:32][cH:33]2)[c:15]3-[c:16]2[n:17][c:18]([NH:22][CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[n:19][cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 81503BromomethylcyclopropaneHCID 104967Cesium cation2×HCID 10275983HCID 10275983, compound

Product 1

HCID 9806292HCID 9806292, compound

Sources & evidence

ORD record
ord-02cb368de2c441239488e0ee827a1aa3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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