Hydrochloric Acid → 1-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclopentylethanone

HRID 135341Notes

Reaction equation

HRID 135341 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[n:16][c:17]([NH2:31])[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]4[c:29]([cH:30]3)[CH2:28][NH:27][CH2:26][CH2:25]4)[cH:20]2)[CH2:13][CH2:14]1.[CH:33]1([CH2:38][C:39](=[O:40])[OH:41])[CH2:34][CH2:35][CH2:36][CH2:37]1.[ClH:32].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][P+:51]([N:52]([CH3:53])[CH3:54])([N:55]([CH3:56])[CH3:57])[N:58]([CH3:59])[CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH3:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[n:16][c:17]([NH2:31])[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]4[c:29]([cH:30]3)[CH2:28][N:27]([C:39]([CH2:38][CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37]3)=[O:40])[CH2:26][CH2:25]4)[cH:20]2)[CH2:13][CH2:14]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 71606Cyclopentylacetic acidHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 594967621-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclopentylethanone

Sources & evidence

ORD record
ord-521f0c21734949ff826a8551ece9bd13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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