Diisopropylamine → 4-(4-Methoxybut-1-yn-1-yl)-2,3-methylendioxyaniline

HRID 302032Notes

Reaction equation

HRID 302032 reaction equation
[CH3:12][O:13][CH2:14][CH2:15][C:16]#[CH:17].[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[CH:18]([NH:19][CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Cu:72][I:73].[I:1][c:2]1[c:3]2[c:4]([c:5]([NH2:6])[cH:7][cH:8]1)[O:9][CH2:10][O:11]2.[Pd:31]([Cl:32])[Cl:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[c:2]1([C:17]#[C:16][CH2:15][CH2:14][O:13][CH3:12])[c:3]2[c:4]([c:5]([NH2:6])[cH:7][cH:8]1)[O:9][CH2:10][O:11]2

Participants

8

Reactant 7

HCID 7912DiisopropylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5421524-Methoxybut-1-yneHCID 226627507-Iodo-1,3-benzodioxol-4-amine

Product 1

HCID 210827084-(4-Methoxybut-1-yn-1-yl)-2,3-methylendioxyaniline

Sources & evidence

ORD record
ord-d1374c858c65475a9941aa6fbe0d4e2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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