Acetonitrile → HCID 178491358, compound

HRID 662217Notes

Reaction equation

HRID 662217 reaction equation
[Br:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[C:34]1([C:35]2=[CH:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36]2)=[N:53][NH:52][NH:51][CH2:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[NH:8])[NH:9][c:10]2[s:11][cH:12][c:13]([CH:15]3[NH:16][CH2:17][CH2:18][CH2:19]3)[n:14]2)[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]1.[CH3:54][C:55]#[N:56]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[NH:8])[NH:9][c:10]2[s:11][cH:12][c:13]([CH:15]3[N:16]([CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:17][CH2:18][CH2:19]3)[n:14]2)[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7498Benzyl BromideHCID 66692781HCID 66692781, compoundHCID 178491362HCID 178491362, compound

Product 1

HCID 178491358HCID 178491358, compound

Sources & evidence

ORD record
ord-9bb9e9e7a86c469da0e277b48e346f27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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