Hydrochloric Acid → HCID 178428908, compound

HRID 317711Notes

Reaction equation

HRID 317711 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[NH:24][CH2:25][CH:26]([C:27](=[O:28])[O-:29])[c:30]1[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]1.[CH3:3][CH:4]1[CH2:5][CH:6]([OH:19])[c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[c:12]21.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:1].[ClH:2].[K+:37].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH3:3][CH:4]1[CH2:5][CH:6]([OH:19])[c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([C:27]([CH:26]([CH2:25][NH:24][C:20]([CH3:21])([CH3:22])[CH3:23])[c:30]4[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]4)=[O:28])[CH2:17][CH2:18]3)[c:12]21

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 685203895-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-olHCID 178449082HCID 178449082, compound

Product 1

HCID 178428908HCID 178428908, compound

Sources & evidence

ORD record
ord-a78cb4d467144e7c986aca812b278dd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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