Acetic Acid → Bavisant

HRID 1112979Notes

Reaction equation

HRID 1112979 reaction equation
[C:37]([BH3-:38])#[N:39].[CH2:22]([O:23][C:25]1([O:24][Si:28]([CH3:29])([CH3:30])[CH3:31])[CH2:26][CH2:27]1)[CH3:32].[CH3:33][C:34](=[O:35])[OH:36].[CH3:41][OH:42].[Na+:40].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[cH:12][cH:13]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([CH:25]4[CH2:26][CH2:27]4)[CH2:20][CH2:21]3)[cH:12][cH:13]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 2734686(1-Ethoxycyclopropoxy)trimethylsilaneHCID 59218186(4-Morpholin-4-ylmethyl-phenyl)piperazin-1-yl-methanone

Product 1

HCID 16061509Bavisant

Sources & evidence

ORD record
ord-45249b91337044cfa24230e3bde538e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…