Acetic Acid → HCID 58346709, compound

HRID 2161815Notes

Reaction equation

HRID 2161815 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:40][C:41]([CH3:42])=[O:43].[CH3:58][C:59](=[O:60])[OH:61].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[c:23]2[c:24]2[c:25]([s:39]3)-[c:26]3[cH:27][n:28]([CH:33]4[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]4)[n:29][c:30]3[CH2:31][CH2:32]2)[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.[Na+:57]>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[c:23]2[c:24]2[c:25]([s:39]3)-[c:26]3[cH:27][n:28]([CH:33]4[CH2:34][CH2:35][N:36]([CH:41]([CH3:40])[CH3:42])[CH2:37][CH2:38]4)[n:29][c:30]3[CH2:31][CH2:32]2)[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

7

Reactant 6

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 58346593HCID 58346593, compound

Product 1

HCID 58346709HCID 58346709, compound

Sources & evidence

ORD record
ord-61af87d4e4214d7fb3838f828ea4e7bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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