Acetic Acid → HCID 59558772, compound

HRID 116845Notes

Reaction equation

HRID 116845 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:1][CH2:2][NH2:3].[CH3:53][C:54](=[O:55])[OH:56].[Cl:50][CH2:51][Cl:52].[ClH:49].[F:4][c:5]1[c:6]([CH2:7][S:8][c:9]2[n:10][c:11]([O:26][CH3:27])[cH:12][c:13]([NH:15][S:16](=[O:17])(=[O:18])[N:19]3[CH2:20][CH2:21][C:22](=[O:25])[CH2:23][CH2:24]3)[n:14]2)[cH:28][cH:29][cH:30][c:31]1[F:32].[Na+:46].[Na+:48].[OH-:47]>>[CH3:1][CH2:2][NH:3][CH:22]1[CH2:21][CH2:20][N:19]([S:16]([NH:15][c:13]2[cH:12][c:11]([O:26][CH3:27])[n:10][c:9]([S:8][CH2:7][c:6]3[c:5]([F:4])[c:31]([F:32])[cH:30][cH:29][cH:28]3)[n:14]2)(=[O:17])=[O:18])[CH2:24][CH2:23]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 6341EthylamineHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 67051257HCID 67051257, compound

Product 1

HCID 59558772HCID 59558772, compound

Sources & evidence

ORD record
ord-7038f4c9d437478eb784b4d67e4afc93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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