Acetic Acid → HCID 178481411, compound

HRID 282159Notes

Reaction equation

HRID 282159 reaction equation
[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[NH:38].[C:40]([BH3-:41])#[N:42].[CH3:1][N:2]1[C:3](=[O:24])[CH2:4][CH2:5][C:6]2([CH3:23])[c:7]3[c:8]([cH:12][c:13](-[c:16]4[cH:17][c:18]([NH2:22])[cH:19][cH:20][cH:21]4)[cH:14][cH:15]3)[CH2:9][CH2:10][CH:11]12.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][C:54](=[O:55])[OH:56].[CH3:57][OH:58].[Cl:44][CH2:45][Cl:46].[ClH:39].[Na+:43]>>[CH3:1][N:2]1[C:3](=[O:24])[CH2:4][CH2:5][C:6]2([CH3:23])[c:7]3[c:8]([cH:12][c:13](-[c:16]4[cH:17][c:18]([NH:22][CH:25]([c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[cH:19][cH:20][cH:21]4)[cH:14][cH:15]3)[CH2:9][CH2:10][CH:11]12

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 136809Benzophenone imineHCID 498716Cyano-borohydrideHCID 178481409HCID 178481409, compound

Product 1

HCID 178481411HCID 178481411, compound

Sources & evidence

ORD record
ord-825cf0acf764461ca3c63c185fa5b488
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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