Acetic Acid → HCID 68819613, compound

HRID 2143113Notes

Reaction equation

HRID 2143113 reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:27][C:28](=[O:29])[OH:30].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([NH:14][C:15]([CH:16]=[CH:17][c:18]3[cH:19][cH:20][c:21]([CH:24]=[O:25])[cH:22][cH:23]3)=[O:26])[cH:12][cH:13]2)[cH:6][cH:7]1.[Na+:44].[OH2:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([NH:14][C:15]([CH:16]=[CH:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][OH:25])[cH:22][cH:23]3)=[O:26])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 90898676HCID 90898676, compound

Product 1

HCID 68819613HCID 68819613, compound

Sources & evidence

ORD record
ord-e5957b5532ee47d097f234f3bd837a99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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