Hydrochloric Acid → HCID 59496682, compound

HRID 2327323Notes

Reaction equation

HRID 2327323 reaction equation
[C:33](#[N:34])[C:35]1([CH2:39][C:40](=[O:41])[OH:42])[CH2:36][CH2:37][CH2:38]1.[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.[ClH:32].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][P+:52]([N:53]([CH3:54])[CH3:55])([N:56]([CH3:57])[CH3:58])[N:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]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:40]([CH2:39][C:35]3([C:33]#[N:34])[CH2:36][CH2:37][CH2:38]3)=[O:41])[CH2:26][CH2:25]4)[cH:20]2)[CH2:13][CH2:14]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amineHCID 553036831246210-25-2

Product 1

HCID 59496682HCID 59496682, compound

Sources & evidence

ORD record
ord-e762c64ff9df4801905997b0ac3bfcde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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