Acetate → 2-(3-Methoxy-6-pyridin-4-yl-pyridazin-4-yl)-indole-1-carboxylic acid tert-butyl ester

HRID 2330418Notes

Reaction equation

HRID 2330418 reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[n:23]1[c:24]([B:32]([OH:33])[OH:34])[cH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12.[C:35](=[O:36])([O-:37])[O-:38].[CH3:60][O:61][CH2:62][CH2:63][O:64][CH3:65].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[I:1][c:2]1[c:3]([O:14][CH3:15])[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1.[K+:39].[K+:40].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[OH2:66].[Pd+2:67].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[c:2]1(-[c:24]2[n:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[c:31]3[c:26]([cH:25]2)[cH:27][cH:28][cH:29][cH:30]3)[c:3]([O:14][CH3:15])[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27733021-(tert-Butoxycarbonyl)indole-2-boronic Acid (contains varying amounts of Anhydride)HCID 230924634-Iodo-3-methoxy-6-pyridin-4-yl-pyridazine

Product 1

HCID 671488572-(3-Methoxy-6-pyridin-4-yl-pyridazin-4-yl)-indole-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-11b01615c7984cdfba86da91b26d499e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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