Hydrochloric Acid → HCID 67542180, compound

HRID 2329085Notes

Reaction equation

HRID 2329085 reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][CH:43]([CH2:46][C:47](=[O:48])[OH:49])[CH2:44][CH2:45]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[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].[OH2:82].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][P+:59]([N:60]([CH3:61])[CH3:62])([N:63]([CH3:64])[CH3:65])[N:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]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:47]([CH2:46][CH:43]3[CH2:42][CH2:41][N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:45][CH2:44]3)=[O:48])[CH2:26][CH2:25]4)[cH:20]2)[CH2:13][CH2:14]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 1512539[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acidHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 67542180HCID 67542180, compound

Sources & evidence

ORD record
ord-e3db48416ffb4e2aab1ad2ac3e3efc7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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