Acetic Acid → HCID 18753460, compound

HRID 2345368Notes

Reaction equation

HRID 2345368 reaction equation
[C:46]([BH3-:47])#[N:48].[CH3:42][C:43](=[O:44])[OH:45].[CH:36]1([NH2:41])[CH2:37][CH2:38][CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5]([NH:6][c:7]2[n:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH2:20][CH:21]([O:22][CH3:23])[O:24][CH3:25])[c:14]([O:17][CH3:18])[cH:15][c:16]23)[cH:26][cH:27]1.[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35].[Na+:49].[OH2:50]>>[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5]([NH:6][c:7]2[n:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH2:20][CH2:21][NH:41][CH:36]4[CH2:37][CH2:38][CH2:39][CH2:40]4)[c:14]([O:17][CH3:18])[cH:15][c:16]23)[cH:26][cH:27]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 2906CyclopentylamineHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 22478201HCID 22478201, compound

Product 1

HCID 18753460HCID 18753460, compound

Sources & evidence

ORD record
ord-b7c09d8ffb8944a0a1a7aab97af60056
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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