Hydrochloric Acid → 3-[3-[cyclobutyl-[[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]amino]cyclobutyl]propanoic acid

HRID 93054Notes

Reaction equation

HRID 93054 reaction equation
[CH3:57][OH:58].[CH:4]1([N:8]([CH:9]2[CH2:10][CH:11]([CH2:13][CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:12]2)[CH2:20][CH:21]2[CH2:22][CH:23]([n:31]3[cH:32][cH:33][c:34]4[c:35]3[n:36][cH:37][n:38][c:39]4[NH:40][CH2:41][c:42]3[c:43]([O:50][CH3:51])[cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[CH:24]3[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH:28]23)[CH2:5][CH2:6][CH2:7]1.[ClH:59].[Li+:3].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:2].[OH2:1]>>[CH:4]1([N:8]([CH:9]2[CH2:10][CH:11]([CH2:13][CH2:14][C:15](=[O:16])[OH:17])[CH2:12]2)[CH2:20][CH:21]2[CH2:22][CH:23]([n:31]3[cH:32][cH:33][c:34]4[c:35]3[n:36][cH:37][n:38][c:39]4[NH:40][CH2:41][c:42]3[c:43]([O:50][CH3:51])[cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[CH:24]3[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH:28]23)[CH2:5][CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 178471079HCID 178471079, compound

Product 1

HCID 773535563-[3-[cyclobutyl-[[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]amino]cyclobutyl]propanoic acid

Sources & evidence

ORD record
ord-7866b8686a9040cb9d0e60d4aef33afa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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