Acetonitrile → HCID 67055325, compound

HRID 203477Notes

Reaction equation

HRID 203477 reaction equation
[Br:22][CH:23]([c:24]1[cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]1.[CH3:48][C:49]#[N:50].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[NH:1]1[CH2:2][CH:3]([CH:5]([C:6]([CH3:7])([CH3:8])[F:9])[c:10]2[cH:11][c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][c:19]([F:21])[cH:20]2)[CH2:4]1>>[N:1]1([CH:23]([c:24]2[cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[CH2:2][CH:3]([CH:5]([C:6]([CH3:7])([CH3:8])[F:9])[c:10]2[cH:11][c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][c:19]([F:21])[cH:20]2)[CH2:4]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 670553513-[Bromo(4-chlorophenyl)methyl]benzonitrileHCID 67055353Ethyl 3-(1-azetidin-3-yl-2-fluoro-2-methylpropyl)-5-fluorobenzoate

Product 1

HCID 67055325HCID 67055325, compound

Sources & evidence

ORD record
ord-77428443ee98491abfc73595b9050f25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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