Hexane → 6-(1-(3-Acetamidophenyl)-vinyl)-3-styryl-1H-indazole

HRID 1132162Notes

Reaction equation

HRID 1132162 reaction equation
[C:35]([CH3:36])(=[O:37])[NH:38][c:39]1[cH:40][c:41]([C:45](=[CH2:46])[c:47]2[cH:48][cH:49][c:50]3[c:51]([CH:64]=[CH:65][c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[n:52][n:53]([CH2:56][O:57][CH2:58][CH2:59][Si:60]([CH3:61])([CH3:62])[CH3:63])[c:54]3[cH:55]2)[cH:42][cH:43][cH:44]1.[C:78]([O:79][CH2:80][CH3:81])(=[O:82])[CH3:83].[CH3:72][CH2:73][CH2:74][CH2:75][CH2:76][CH3:77].[NH2:1][c:2]1[cH:3][c:4]([C:5]([c:6]2[cH:7][c:8]3[c:9]([c:10]([CH:11]=[CH:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[n:19][n:20]3[CH2:21][O:22][CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30]2)=[CH2:31])[cH:32][cH:33][cH:34]1>>[C:35]([CH3:36])(=[O:37])[NH:38][c:39]1[cH:40][c:41]([C:45](=[CH2:46])[c:47]2[cH:48][cH:49][c:50]3[c:51]([CH:64]=[CH:65][c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[n:52][nH:53][c:54]3[cH:55]2)[cH:42][cH:43][cH:44]1

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 693717926-(1-(3-acetamido-phenyl)-vinyl)-3-styryl-1-[2-trimethylsilanyl-ethoxymethyl]-1H-indazoleHCID 693721006-(1-(3-Aminophenyl)-vinyl)-3-styryl 1-[2-trimethylsilanyl-ethoxymethyl]-1H-indazole

Product 1

HCID 693713426-(1-(3-Acetamidophenyl)-vinyl)-3-styryl-1H-indazole

Sources & evidence

ORD record
ord-26ccf1a09f0542ba96183deb6db19cc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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