Acetic Acid → HCID 14230819, compound

HRID 308737Notes

Reaction equation

HRID 308737 reaction equation
[BH4-:42].[C:44](=[O:45])([OH:46])[O-:47].[CH2:54]([Cl:55])[Cl:56].[CH3:38][C:39](=[O:40])[OH:41].[Na+:43].[Na+:48].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:37])[N:14]([C:25]([C:26](=[O:27])[O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)=[O:36])[CH:15]1[S:16][C:17](=[O:18])[O:19][CH2:20][C:21]([Cl:22])([Cl:23])[Cl:24].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:57]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:37])[N:14]([CH:25]([C:26](=[O:27])[O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[OH:36])[CH:15]1[S:16][C:17](=[O:18])[O:19][CH2:20][C:21]([Cl:22])([Cl:23])[Cl:24]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 14230818HCID 14230818, compound

Product 1

HCID 14230819HCID 14230819, compound

Sources & evidence

ORD record
ord-c884777d3a1b4a1197a4b17635ec9f3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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