Acetic Acid → HCID 57597211, compound

HRID 289584Notes

Reaction equation

HRID 289584 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[C:57](=[O:58])([O-:59])[OH:60].[CH3:36][S:37](=[O:38])(=[O:39])[CH2:40][CH2:41][NH2:42].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][C:68](=[O:69])[OH:70].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[cH:24][n:25](-[c:27]2[cH:28][cH:29][c:30]([CH:31]=[O:32])[cH:33][cH:34]2)[n:26]3)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[ClH:35].[Na+:56].[Na+:61]>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[cH:24][n:25](-[c:27]2[cH:28][cH:29][c:30]([CH2:31][NH:42][CH2:41][CH2:40][S:37]([CH3:36])(=[O:38])=[O:39])[cH:33][cH:34]2)[n:26]3)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 2724942TriacetoxyborohydrideHCID 43405612-(Methylsulfonyl)ethanamineHCID 86615765HCID 86615765, compound

Product 1

HCID 57597211HCID 57597211, compound

Sources & evidence

ORD record
ord-2eca98ca6a574ad6927e626031a238ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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