Hydrochloric Acid → 4-(4-Methylpiperazin-1-yl)-6-[2-(1H-pyrazol-1-ylacetyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyrimidin-2-amine

HRID 692196Notes

Reaction equation

HRID 692196 reaction equation
[CH3:16][N:17]1[CH2:18][CH2:19][N:20]([c:23]2[n:24][c:25]([NH2:39])[n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]4[c:37]([cH:38]3)[CH2:36][NH:35][CH2:34][CH2:33]4)[cH:28]2)[CH2:21][CH2:22]1.[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[CH3:75][OH:76].[ClH:15].[ClH:40].[Li+:3].[OH-:2].[OH2:1].[OH2:77].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][P+:50]([N:51]([CH3:52])[CH3:53])([N:54]([CH3:55])[CH3:56])[N:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1.[n:4]1([CH2:9][C:10]([O:12][CH2:11][CH3:13])=[O:14])[n:5][cH:6][cH:7][cH:8]1>>[n:4]1([CH2:9][C:10](=[O:12])[N:35]2[CH2:34][CH2:33][c:32]3[cH:31][cH:30][c:29](-[c:27]4[n:26][c:25]([NH2:39])[n:24][c:23]([N:20]5[CH2:19][CH2:18][N:17]([CH3:16])[CH2:22][CH2:21]5)[cH:28]4)[cH:38][c:37]3[CH2:36]2)[n:5][cH:6][cH:7][cH:8]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 4534671Ethyl 2-(1H-pyrazol-1-yl)acetateHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 497798334-(4-Methylpiperazin-1-yl)-6-[2-(1H-pyrazol-1-ylacetyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyrimidin-2-amine

Sources & evidence

ORD record
ord-bead2c7f797c4b7584d3afc4d33dabf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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