Potassium Cation → 1-Isopropyl-3-[5-(1-methyl-1H-tetrazol-5-yl)-thiophen-2-yl]-6-nitro-1H-indole

HRID 184974Notes

Reaction equation

HRID 184974 reaction equation
[Br:25][c:26]1[cH:27][cH:28][c:29](-[c:31]2[n:32][n:33][n:34][n:35]2[CH3:36])[s:30]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH:115](=[CH:116][C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)=[O:126])[c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6]([B:16]2[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]2)[c:7]2[cH:8][cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][c:12]12.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[CH:79](=[CH:80][C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)=[O:90])[c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[CH:97](=[CH:98][C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)=[O:108])[c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[K+:61].[K+:62].[K+:63].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[OH2:70].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd:77].[Pd:78]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6](-[c:26]2[cH:27][cH:28][c:29](-[c:31]3[n:32][n:33][n:34][n:35]3[CH3:36])[s:30]2)[c:7]2[cH:8][cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][c:12]12

Participants

11

Reactant 10

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 75806TricyclohexylphosphineHCID 95417Dibenzylidene acetone3×HCID 570705885-(5-Bromo-thiophen-2-yl)-1-methyl-1H-tetrazoleHCID 671015251-isopropyl-6-nitro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole

Product 1

HCID 574422001-Isopropyl-3-[5-(1-methyl-1H-tetrazol-5-yl)-thiophen-2-yl]-6-nitro-1H-indole

Sources & evidence

ORD record
ord-151abe532be14197af4b32fcb2573b3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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