Acetic Acid → HCID 72297371, compound

HRID 2157788Notes

Reaction equation

HRID 2157788 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:60][C:61](=[O:62])[OH:63].[CH3:64][C:65]#[N:66].[Cl:67][CH2:68][Cl:69].[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([CH:22]2[c:23]3[c:24]([cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[c:31]([CH3:33])[cH:32]3)[NH:25][CH2:26][CH2:27][CH2:28]2)[c:38]2[n:39][n:40][n:41]([CH3:43])[n:42]2)[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]1)([F:51])[F:52].[Na+:14].[O:53]1[CH2:54][CH2:55][C:56](=[O:59])[CH2:57][CH2:58]1>>[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([CH:22]2[c:23]3[c:24]([cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[c:31]([CH3:33])[cH:32]3)[N:25]([CH:56]3[CH2:55][CH2:54][O:53][CH2:58][CH2:57]3)[CH2:26][CH2:27][CH2:28]2)[c:38]2[n:39][n:40][n:41]([CH3:43])[n:42]2)[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]1)([F:51])[F:52]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 121599Tetrahydro-4H-pyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 72297395N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-(2-methyltetrazol-5-yl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

Product 1

HCID 72297371HCID 72297371, compound

Sources & evidence

ORD record
ord-aa0bb18af17d4dfcb65634bda6bd1f10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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