Acetonitrile → HCID 22613814, compound

HRID 1235249Notes

Reaction equation

HRID 1235249 reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][O:33][c:34]1[c:35]([C:36](=[O:37])[Cl:38])[cH:39][cH:40][cH:41][cH:42]1.[CH3:43][C:44]#[N:45].[n:1]1([CH2:6][CH:7]([CH2:8][CH2:9][O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH:7]([CH2:8][CH2:9][O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]2)[c:2]([C:36]([c:35]2[c:34]([O:33][CH3:32])[cH:42][cH:41][cH:40][cH:39]2)=[O:37])[n:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 889692-Methoxybenzoyl chlorideHCID 226138011-(Imidazol-1-yl)-2-(3,4-dichlorophenyl)-4-(tetrahydropyran-2-yloxy)butane

Product 1

HCID 22613814HCID 22613814, compound

Sources & evidence

ORD record
ord-87be688c637141d2888faa603999e0b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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