Hydrochloric Acid → HCID 69554068, compound

HRID 1224772Notes

Reaction equation

HRID 1224772 reaction equation
[CH2:16]([N:17]=[C:18]=[N:19][CH2:20][CH2:21][CH2:22][N:23]([CH3:24])[CH3:25])[CH3:26].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:15].[NH2:38][CH:39]([CH:40]([OH:41])[c:42]1[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]1)[CH2:49][c:50]1[cH:51][cH:52][c:53]([C:56]([C:57]([CH3:58])([CH3:59])[CH3:60])([F:61])[F:62])[cH:54][cH:55]1.[OH2:27].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1.[c:1]1([C:12](=[O:13])[OH:14])[cH:2][cH:3][cH:4][c:5]2[c:6]1[CH:7]=[CH:8][CH2:9][CH2:10][CH2:11]2>>[c:1]1([C:12](=[O:14])[NH:38][CH:39]([CH:40]([OH:41])[c:42]2[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]2)[CH2:49][c:50]2[cH:51][cH:52][c:53]([C:56]([C:57]([CH3:58])([CH3:59])[CH3:60])([F:61])[F:62])[cH:54][cH:55]2)[cH:2][cH:3][cH:4][c:5]2[c:6]1[CH:7]=[CH:8][CH2:9][CH2:10][CH2:11]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 22261485(1RS,2SR)-2-amino-1-(3-chlorophenyl)-3-[4-(1,1-difluoro-2,2-dimethylpropyl)phenyl]-1-propanolHCID 222620106,7-dihydro-5H-benzo[a]cycloheptene-1-carboxylic acid

Product 1

HCID 69554068HCID 69554068, compound

Sources & evidence

ORD record
ord-a346ff78f5524233881fdadd93a5ef50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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