Hydrochloric Acid → 3-[3-[[4-[4-[(2,4-dimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl-(2-methylpropyl)amino]cyclobutyl]propanoic acid

HRID 2143495Notes

Reaction equation

HRID 2143495 reaction equation
[CH3:3][O:4][c:5]1[c:6]([CH2:7][NH:8][c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[n:15]([CH:18]2[CH2:19][CH:20]([CH2:28][N:29]([CH:30]4[CH2:31][CH:32]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:33]4)[CH2:41][CH:42]([CH3:43])[CH3:44])[CH:21]4[CH:22]2[O:23][C:24]([CH3:26])([CH3:27])[O:25]4)[cH:16][cH:17]3)[cH:45][cH:46][c:47]([O:49][CH3:50])[cH:48]1.[CH3:56][OH:57].[ClH:58].[Li+:1].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:2]>>[CH3:3][O:4][c:5]1[c:6]([CH2:7][NH:8][c:9]2[c:10]3[c:11]([n:12][cH:13][n:14]2)[n:15]([CH:18]2[CH2:19][CH:20]([CH2:28][N:29]([CH:30]4[CH2:31][CH:32]([CH2:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:33]4)[CH2:41][CH:42]([CH3:43])[CH3:44])[CH:21]4[CH:22]2[O:23][C:24]([CH3:26])([CH3:27])[O:25]4)[cH:16][cH:17]3)[cH:45][cH:46][c:47]([O:49][CH3:50])[cH:48]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 178471085HCID 178471085, compound

Product 1

HCID 773530493-[3-[[4-[4-[(2,4-dimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl-(2-methylpropyl)amino]cyclobutyl]propanoic acid

Sources & evidence

ORD record
ord-4b5288d1809d4967b7f9e4447e9c5c6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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