Hydrochloric Acid → HCID 16678247, compound

HRID 671677Notes

Reaction equation

HRID 671677 reaction equation
[C:64](=[O:65])([OH:66])[O-:67].[CH2:2]([CH3:3])[NH2:4].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[ClH:1].[F:5][B-:6]([F:7])([F:8])[F:9].[NH2:36][c:37]1[c:38]2[n:39]([cH:40][cH:41][n:42]1)[c:43]([CH:55]1[CH2:56][CH2:57][CH:58]([C:61](=[O:62])[OH:63])[CH2:59][CH2:60]1)[n:44][c:45]2-[c:46]1[nH:47][c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[cH:54]1.[Na+:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[n:10]1([O:11][C:12]([N:13]([CH3:14])[CH3:15])=[N+:16]([CH3:17])[CH3:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1>>[CH2:2]([CH3:3])[NH:4][C:61]([CH:58]1[CH2:57][CH2:56][CH:55]([c:43]2[n:39]3[c:38]([c:37]([NH2:36])[n:42][cH:41][cH:40]3)[c:45](-[c:46]3[nH:47][c:48]4[cH:49][cH:50][cH:51][cH:52][c:53]4[cH:54]3)[n:44]2)[CH2:60][CH2:59]1)=[O:62]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6341EthylamineHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 16678348trans-4-(8-Amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl)cyclohexanecarboxylic acid

Product 1

HCID 16678247HCID 16678247, compound

Sources & evidence

ORD record
ord-42683acff07e4b3d91e627bc4c672e11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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