Hydrochloric Acid → 7-(3-azetidinyl)-5-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HRID 686464Notes

Reaction equation

HRID 686464 reaction equation
[CH3:53][OH:54].[Cl:55][CH2:56][Cl:57].[ClH:41].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:30]1[CH2:31][N:32]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:33]1)[cH:9][c:10]2-[c:11]1[cH:12][c:13]2[c:17]([cH:18][cH:19]1)[N:16]([C:20]([CH2:21][c:22]1[cH:23][c:24]([CH3:28])[cH:25][cH:26][cH:27]1)=[O:29])[CH2:15][CH2:14]2.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:30]1[CH2:31][NH:32][CH2:33]1)[cH:9][c:10]2-[c:11]1[cH:12][c:13]2[c:17]([cH:18][cH:19]1)[N:16]([C:20]([CH2:21][c:22]1[cH:23][c:24]([CH3:28])[cH:25][cH:26][cH:27]1)=[O:29])[CH2:15][CH2:14]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 668234481,1-dimethylethyl 3-(4-amino-5-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-azetidinecarboxylate

Product 1

HCID 668240497-(3-azetidinyl)-5-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-f4118568da0944bba2bbca890e6da383
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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