Acetic Acid → HCID 45485761, compound

HRID 2346944Notes

Reaction equation

HRID 2346944 reaction equation
[C:1]([BH3-:2])#[N:3].[C:45](=[O:46])([OH:47])[O-:48].[CH2:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:41][C:42](=[O:43])[OH:44].[CH3:50][CH2:51][OH:52].[CH:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:12][c:13](-[c:15]3[cH:16][n:17][cH:18][c:19]([C:20]#[N:21])[c:22]3[NH:23][c:24]3[c:25]([CH3:33])[c:26]4[cH:27][cH:28][nH:29][c:30]4[cH:31][cH:32]3)[s:14]2)[cH:34]1.[Cl:53][CH2:54][Cl:55].[K+:49].[Na+:4]>>[CH2:5]([c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:12][c:13](-[c:15]3[cH:16][n:17][cH:18][c:19]([C:20]#[N:21])[c:22]3[NH:23][c:24]3[c:25]([CH3:33])[c:26]4[cH:27][cH:28][nH:29][c:30]4[cH:31][cH:32]3)[s:14]2)[cH:34]1)[N:38]1[CH2:37][CH2:36][CH2:35][CH2:40][CH2:39]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 6344DichloromethaneHCID 8082PiperidineHCID 498716Cyano-borohydrideHCID 86616832HCID 86616832, compound

Product 1

HCID 45485761HCID 45485761, compound

Sources & evidence

ORD record
ord-14dc70cff13f483ea1d7ed8ae83f3a54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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