Acetic Acid → 1-{2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-yl-butylamino)ethyl]-1H-indol-5-yl}4-methyl-1,4-dihydrotetrazol-5-one

HRID 2146242Notes

Reaction equation

HRID 2146242 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][c:11]1[c:12](-[c:27]2[cH:28][c:29]([CH3:34])[cH:30][c:31]([CH3:33])[cH:32]2)[nH:13][c:14]2[cH:15][cH:16][c:17](-[n:20]3[n:21][n:22][n:23]([CH3:26])[c:24]3=[O:25])[cH:18][c:19]12)[CH2:35][CH2:36][CH2:37][CH2:38][c:39]1[cH:40][n:41][cH:42][cH:43][cH:44]1.[CH3:45][C:46](=[O:47])[OH:48].[H:49][H:50].[OH-:52].[OH-:54].[OH2:51].[Pd+2:53]>>[NH:8]([CH2:9][CH2:10][c:11]1[c:12](-[c:27]2[cH:28][c:29]([CH3:34])[cH:30][c:31]([CH3:33])[cH:32]2)[nH:13][c:14]2[cH:15][cH:16][c:17](-[n:20]3[n:21][n:22][n:23]([CH3:26])[c:24]3=[O:25])[cH:18][c:19]12)[CH2:35][CH2:36][CH2:37][CH2:38][c:39]1[cH:40][n:41][cH:42][cH:43][cH:44]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 961Hydroxide2×HCID 962WaterHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 212498931-[3-{2-[benzyl-(4-pyridin-3-yl-butyl)amino]ethyl}2-(3,5-dimethylphenyl)-1H-indol-5-yl]-4-methyl-1,4-dihydrotetrazol-5-oneHCID 178418361HCID 178418361, compound

Product 1

HCID 98058151-{2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-yl-butylamino)ethyl]-1H-indol-5-yl}4-methyl-1,4-dihydrotetrazol-5-one

Sources & evidence

ORD record
ord-9fded8c722824aacb9a72b0a1ae47955
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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