Acetic Acid → HCID 10348365, compound

HRID 684169Notes

Reaction equation

HRID 684169 reaction equation
[C:43]([BH3-:44])#[N:45].[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][OH:54].[CH:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[ClH:1].[NH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([NH:10][c:11]2[c:12]([NH:21][C:22](=[O:23])[c:24]3[c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]([Cl:34])[c:31]([Cl:33])[cH:32]3)[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:8][cH:9]1.[Na+:46].[Na+:48].[OH-:47]>>[NH:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([NH:10][c:11]2[c:12]([NH:21][C:22](=[O:23])[c:24]3[c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]([Cl:34])[c:31]([Cl:33])[cH:32]3)[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:8][cH:9]1)[CH2:35][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 498716Cyano-borohydrideHCID 9871812HCID 9871812, compound

Product 1

HCID 10348365HCID 10348365, compound

Sources & evidence

ORD record
ord-b2f6d2be61134c3494976dd3d494ad4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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