Acetonitrile → HCID 178424949, compound

HRID 1574308Notes

Reaction equation

HRID 1574308 reaction equation
[CH2:45]([N:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1)[CH3:52].[CH3:1][C:2]([CH:3]([C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][C:15](=[O:16])[CH:17]([CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][CH:27]=[CH2:28])([CH3:29])[CH3:30].[CH3:31][c:32]1[cH:33][c:34]([Br:44])[cH:35][cH:36][c:37]1-[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:53][C:54]#[N:55]>>[CH3:1][C:2]([CH:3]([C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][C:15](=[O:16])[CH:17]([CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][CH:27]=[CH:28][c:34]1[cH:33][c:32]([CH3:31])[c:37](-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:36][cH:35]1)([CH3:29])[CH3:30]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7525EthylmorpholineHCID 99648454-Bromo-2-methylbiphenylHCID 22950108Tert-butyl 3-[(3,3-dimethyl-1-oxo-1-phenylmethoxybutan-2-yl)carbamoyl]hex-5-enoate

Product 1

HCID 178424949HCID 178424949, compound

Sources & evidence

ORD record
ord-857dd2af316f4cc8a57df51cdac2243a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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