Acetic Acid → HCID 69021420, compound

HRID 1118570Notes

Reaction equation

HRID 1118570 reaction equation
[C:1]([BH3-:2])#[N:3].[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][OH:42].[Cl:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]3[c:16]([cH:31]2)[C:17]([c:24]2[cH:25][c:26]([Cl:30])[cH:27][cH:28][cH:29]2)=[N:18][CH2:19][C:20](=[O:23])[N:21]3[CH3:22])[cH:32][cH:33]1.[NH4+:36].[Na+:4].[OH-:35].[OH2:34]>>[Cl:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]3[c:16]([cH:31]2)[CH:17]([c:24]2[cH:25][c:26]([Cl:30])[cH:27][cH:28][cH:29]2)[NH:18][CH2:19][C:20](=[O:23])[N:21]3[CH3:22])[cH:32][cH:33]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 498716Cyano-borohydrideHCID 69020511HCID 69020511, compound

Product 1

HCID 69021420HCID 69021420, compound

Sources & evidence

ORD record
ord-23cf5742d05a450ca559a2c35047f92d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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