Acetic Acid → HCID 178420961, compound

HRID 2123864Notes

Reaction equation

HRID 2123864 reaction equation
[C:33]([BH3-:34])#[N:35].[CH3:39][OH:40].[CH3:47][C:48](=[O:49])[OH:50].[Cl:1][c:2]1[cH:3][c:4]2[c:17]([cH:18][cH:19]1)[CH:16]1[CH:7]([CH2:6][CH2:5]2)[CH:8]2[CH2:9][CH2:10][C:11](=[O:20])[C:12]2([CH3:13])[CH2:14][CH2:15]1.[F:21][C:22]([c:23]1[cH:24][c:25]([CH2:26][NH2:27])[cH:28][cH:29][cH:30]1)([F:31])[F:32].[Na+:36].[Na+:38].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:37].[OH2:46]>>[Cl:1][c:2]1[cH:3][c:4]2[c:17]([cH:18][cH:19]1)[CH:16]1[CH:7]([CH2:6][CH2:5]2)[CH:8]2[CH2:9][CH2:10][CH:11]([NH:27][CH2:26][c:25]3[cH:24][c:23]([C:22]([F:21])([F:31])[F:32])[cH:30][cH:29][cH:28]3)[C:12]2([CH3:13])[CH2:14][CH2:15]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 759623-(Trifluoromethyl)benzylamineHCID 498716Cyano-borohydrideHCID 178420962HCID 178420962, compound

Product 1

HCID 178420961HCID 178420961, compound

Sources & evidence

ORD record
ord-e355f0c9a2d84b3bb341d03680b51640
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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