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

HRID 160912Notes

Reaction equation

HRID 160912 reaction equation
[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[ClH:21].[F:22][c:23]1[cH:24][cH:25][c:26]([CH2:29][C:30](=[O:31])[OH:32])[cH:27][cH:28]1.[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[N:1]1([C:30]([CH2:29][c:26]2[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]2)=[O:31])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 98372-(4-Fluorophenyl)acetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668234715-(2,3-dihydro-1H-indol-5-yl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Product 1

HCID 665610125-{1-[(4-fluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-4e2eee3cc46f4a069f6b8b0f3a4491fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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