Acetate → 1-Phenyl-2-(3-(isopropyl)amino-4-nitrophenyl)acetylene

HRID 673212Notes

Reaction equation

HRID 673212 reaction equation
[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N+:12](=[O:13])[O-:14])[cH:7][cH:8][c:9]([Br:11])[cH:10]1.[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[Pd+2:49].[c:15]1([C:21]#[CH:22])[cH:16][cH:17][cH:18][cH:19][cH:20]1.[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N+:12](=[O:13])[O-:14])[cH:7][cH:8][c:9]([C:22]#[C:21][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:10]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 249029775-Bromo-N-isopropyl-2-nitroaniline

Product 1

HCID 668688151-Phenyl-2-(3-(isopropyl)amino-4-nitrophenyl)acetylene

Sources & evidence

ORD record
ord-9d0d733a2ac0438b909059f5884f1638
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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