Acetic Acid → HCID 45275162, compound

HRID 152302Notes

Reaction equation

HRID 152302 reaction equation
[C:40]([BH3-:41])#[N:42].[CH2:38]=[O:39].[CH2:50]([Cl:51])[Cl:52].[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][OH:49].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][N:17]3[C:18](=[O:29])[CH:19]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[NH:20][CH2:21][CH2:22]3)=[O:30])[CH2:13][CH2:14]2)[c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[cH:6][cH:7]1.[Na+:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][N:17]3[C:18](=[O:29])[CH:19]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[N:20]([CH3:40])[CH2:21][CH2:22]3)=[O:30])[CH2:13][CH2:14]2)[c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 498716Cyano-borohydrideHCID 45275278HCID 45275278, compound

Product 1

HCID 45275162HCID 45275162, compound

Sources & evidence

ORD record
ord-cb7795746e3d44eeaf16b7fe3eedb650
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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