Hydrochloric Acid → HCID 22262161, compound

HRID 698976Notes

Reaction equation

HRID 698976 reaction equation
[C:75](=[O:76])([O-:77])[OH:78].[CH2:16]([N:17]=[C:18]=[N:19][CH2:20][CH2:21][CH2:22][N:23]([CH3:24])[CH3:25])[CH3:26].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[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]([CH2:56][C:57]([C:58]([F:59])([F:60])[F:61])([F:62])[F:63])[cH:54][cH:55]1.[Na+:79].[OH2:27].[OH2:80].[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]([CH2:56][C:57]([C:58]([F:59])([F:60])[F:61])([F:62])[F:63])[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

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 22261679(1RS,2SR)-2-amino-1-(3-chlorophenyl)-3-[4-(2,2,3,3,3-pentafluoropropyl)phenyl]-1-propanolHCID 222620106,7-dihydro-5H-benzo[a]cycloheptene-1-carboxylic acid

Product 1

HCID 22262161HCID 22262161, compound

Sources & evidence

ORD record
ord-11d8069fcb554708a4ca86a02e2ab787
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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