Acetic Acid → HCID 178482796, compound

HRID 111892Notes

Reaction equation

HRID 111892 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[CH:26]([C:30]#[N:31])[CH2:27][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:34]([CH:35]1[CH2:36][CH2:37][CH2:38][N:39]1[C:40]([CH:41]1[CH2:42][CH:43]([NH:44][CH2:45][c:46]2[cH:47][cH:48][c:49]([C:50]#[N:51])[cH:52][cH:53]2)[CH2:54][NH:55]1)=[O:56])#[N:57].[C:60]([BH3-:61])#[N:62].[CH2:58]=[O:59].[CH3:64][C:65]#[N:66].[CH3:67][C:68](=[O:69])[OH:70].[ClH:32].[ClH:33].[Na+:63]>>[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[CH:26]([C:30]#[N:31])[CH2:27][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)[CH3:34])[CH2:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 178452303HCID 178452303, compoundHCID 178509834HCID 178509834, compound

Product 1

HCID 178482796HCID 178482796, compound

Sources & evidence

ORD record
ord-3ce6c4c581af48e984b06fa122465ed8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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