Hydrochloric Acid → 5-(4-fluoro-1-{[6-(trifluoromethyl)-2-pyridinyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HRID 2329589Notes

Reaction equation

HRID 2329589 reaction equation
[CH3:76][OH:77].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:78][CH2:79][Cl:80].[ClH:1].[ClH:2].[F:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[cH:14][n:15]([CH3:23])[c:16]3[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]13)[NH:8][CH2:7][CH2:6]2.[F:57][C:58]([c:59]1[cH:60][cH:61][cH:62][c:63]([CH2:65][C:66](=[O:67])[OH:68])[n:64]1)([F:69])[F:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:81].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[F:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[cH:14][n:15]([CH3:23])[c:16]3[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]13)[N:8]([C:66]([CH2:65][c:63]1[cH:62][cH:61][cH:60][c:59]([C:58]([F:57])([F:69])[F:70])[n:64]1)=[O:67])[CH2:7][CH2:6]2

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 534015132-(6-(Trifluoromethyl)pyridin-2-yl)acetic acidHCID 668236165-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

Product 1

HCID 534690605-(4-fluoro-1-{[6-(trifluoromethyl)-2-pyridinyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-205275341ceb4f2194f9b0142264cb7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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