Acetic Acid → N-(4-{4-amino-7-[3-(4-hydroxypiperidin-1-yl)propyl]thieno[3,2-c]pyridin-3-yl}2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

HRID 124124Notes

Reaction equation

HRID 124124 reaction equation
[CH3:42][CH2:43][OH:44].[CH3:50][C:51](=[O:52])[OH:53].[H:45][H:46].[NH2:1][c:2]1[n:3][cH:4][c:5]([CH:32]=[CH:33][CH2:34][N:35]2[CH2:36][CH2:37][CH:38]([OH:41])[CH2:39][CH2:40]2)[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2.[OH-:47].[OH-:49].[Pd+2:48]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([CH2:32][CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][CH:38]([OH:41])[CH2:39][CH2:40]2)[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 68677457HCID 68677457, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 18451118N-(4-{4-amino-7-[3-(4-hydroxypiperidin-1-yl)propyl]thieno[3,2-c]pyridin-3-yl}2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-34be544e4592421680eb1fa3e66afc23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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