Acetic Acid → HCID 53628422, compound

HRID 2143685Notes

Reaction equation

HRID 2143685 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH2:44]1[CH2:45][O:46][CH2:47][CH2:48][NH:49]1.[CH3:56][C:57](=[O:58])[OH:59].[Cl:53][CH2:54][Cl:55].[ClH:52].[F:15][c:16]1[c:17]([CH2:18][S:19][c:20]2[n:21][c:22]([O:37][CH3:38])[cH:23][c:24]([NH:26][S:27](=[O:28])(=[O:29])[N:30]3[CH2:31][CH2:32][C:33](=[O:36])[CH2:34][CH2:35]3)[n:25]2)[cH:39][cH:40][cH:41][c:42]1[F:43].[Na+:14].[Na+:51].[OH-:50]>>[F:15][c:16]1[c:17]([CH2:18][S:19][c:20]2[n:21][c:22]([O:37][CH3:38])[cH:23][c:24]([NH:26][S:27](=[O:28])(=[O:29])[N:30]3[CH2:31][CH2:32][CH:33]([N:49]4[CH2:44][CH2:45][O:46][CH2:47][CH2:48]4)[CH2:34][CH2:35]3)[n:25]2)[cH:39][cH:40][cH:41][c:42]1[F:43]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 67051257HCID 67051257, compound

Product 1

HCID 53628422HCID 53628422, compound

Sources & evidence

ORD record
ord-73442c980ce940cc9496e89bcea6d968
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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