Acetic Acid → HCID 46866330, compound

HRID 692751Notes

Reaction equation

HRID 692751 reaction equation
[C:45]([BH3-:46])#[N:47].[CH2:34]([O:35][C:37]1([O:36][Si:40]([CH3:41])([CH3:42])[CH3:43])[CH2:38][CH2:39]1)[CH3:44].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:49][OH:50].[CH3:51][C:52](=[O:53])[OH:54].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:26])[CH2:11][CH2:12][c:13]3[cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[cH:16][cH:17][c:18]32)[cH:7][cH:8]1.[Na+:48]>>[F:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:26])[CH2:11][CH2:12][c:13]3[cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:37]5[CH2:38][CH2:39]5)[CH2:24][CH2:25]4)[cH:16][cH:17][c:18]32)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 8471TriethylamineHCID 498716Cyano-borohydrideHCID 2734686(1-Ethoxycyclopropoxy)trimethylsilaneHCID 58065086HCID 58065086, compound

Product 1

HCID 46866330HCID 46866330, compound

Sources & evidence

ORD record
ord-ab526a89b4284859aee2fc1edc0deb82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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