Potassium Cation → 6-Methoxy-2-(1-methyl-1H-pyrazol-4-yl)-7-nitro-3-(3,4,5-trimethoxyphenylthio)benzo[b]furan

HRID 2317896Notes

Reaction equation

HRID 2317896 reaction equation
[CH3:22][O:23][c:24]1[cH:25][c:26]([SH:34])[cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cu:61][I:62].[I:1][c:2]1[c:3](-[c:16]2[cH:17][n:18][n:19]([CH3:21])[cH:20]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([O:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[c:41]1(-[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[OH:48])[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[c:2]1([S:34][c:26]2[cH:25][c:24]([O:23][CH3:22])[c:29]([O:30][CH3:31])[c:28]([O:32][CH3:33])[cH:27]2)[c:3](-[c:16]2[cH:17][n:18][n:19]([CH3:21])[cH:20]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([O:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 1140TolueneHCID 7017(1,1'-Biphenyl)-2-olHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 151982403,4,5-TrimethoxybenzenethiolHCID 574219484-(3-iodo-6-methoxy-7-nitrobenzofuran-2-yl)-1-methyl-1H-pyrazole

Product 1

HCID 574219476-Methoxy-2-(1-methyl-1H-pyrazol-4-yl)-7-nitro-3-(3,4,5-trimethoxyphenylthio)benzo[b]furan

Sources & evidence

ORD record
ord-04520c6bd68a4198b02af3d2ccc01ab2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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