Hydrochloric Acid → HCID 178428896, compound

HRID 1575322Notes

Reaction equation

HRID 1575322 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][C:30]([C:33](=[O:34])[OH:35])([c:36]2[cH:37][c:38]([F:43])[c:39]([Cl:42])[cH:40][cH:41]2)[CH2:31][CH2:32]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:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:77][CH2:78][Cl:79].[ClH:1].[ClH:2].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C: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>>[CH3:3][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:33]([C:30]4([c:36]5[cH:37][c:38]([F:43])[c:39]([Cl:42])[cH:40][cH:41]5)[CH2:29][CH2:28][N:27]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]4)=[O:34])[CH2:17][CH2:18]3)[c:12]21

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 666180441-(Tert-butoxycarbonyl)-4-(4-chloro-3-fluorophenyl)piperidine-4-carboxylic acidHCID 685203895-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

Product 1

HCID 178428896HCID 178428896, compound

Sources & evidence

ORD record
ord-2f54de7a11cd43958a82af31b1d66584
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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