Hydroxide → 1,1-dimethylethyl 4-[4-[3-(4-aminophenyl)-1-ethyl-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

HRID 166550Notes

Reaction equation

HRID 166550 reaction equation
[C+4:54].[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:39]2[cH:40][cH:41][c:42]([N+:45]([O-:46])=[O:47])[cH:43][cH:44]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[n:14]([S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:15]([C:17]2=[CH:22][CH2:21][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:19][CH2:18]2)[cH:16]3)[cH:7]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[OH-:55].[OH-:57].[OH-:58].[OH-:59].[OH-:60].[OH-:61].[Pd+2:56]>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:39]2[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[n:14]([S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:15]([C:17]2=[CH:22][CH2:21][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:19][CH2:18]2)[cH:16]3)[cH:7]1

Participants

6

Reactant 5

HCID 961Hydroxide6×HCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 689984001,1-dimethylethyl 4-[4-[1-ethyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylateHCID 178420935HCID 178420935, compound

Product 1

HCID 689969611,1-dimethylethyl 4-[4-[3-(4-aminophenyl)-1-ethyl-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

Sources & evidence

ORD record
ord-e613b468b733448db5693b4d970d86cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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