Acetic Acid → HCID 178482797, compound

HRID 1560653Notes

Reaction equation

HRID 1560653 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:23](=[O:24])[N:25]2[CH2:26][S:27][CH2:28][CH2:29]2)[CH2:10][CH:11]([NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]#[N:22])[cH:19][cH:20]2)[CH2:12]1.[C:32]([c:33]1[cH:34][cH:35][c:36]([CH2:37][NH:38][CH:39]2[CH2:40][NH:41][CH:42]([C:43]([N:44]3[CH2:45][CH2:46][S:47][CH2:48]3)=[O:49])[CH2:50]2)[cH:51][cH:52]1)#[N:53].[C:56]([BH3-:57])#[N:58].[CH2:54]=[O:55].[CH3:60][C:61]#[N:62].[CH3:63][C:64](=[O:65])[OH:66].[ClH:30].[ClH:31].[Na+:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:23](=[O:24])[N:25]2[CH2:26][S:27][CH2:28][CH2:29]2)[CH2:10][CH:11]([N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]#[N:22])[cH:19][cH:20]2)[CH3:32])[CH2:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 178452304HCID 178452304, compoundHCID 178509835HCID 178509835, compound

Product 1

HCID 178482797HCID 178482797, compound

Sources & evidence

ORD record
ord-36683ff5f597461581f011d50d4f554f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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