Acetic Acid → HCID 59134262, compound

HRID 166201Notes

Reaction equation

HRID 166201 reaction equation
[C:7]([BH3-:8])#[N:9].[CH2:5]=[O:6].[CH3:1][C:2](=[O:3])[OH:4].[CH3:53][OH:54].[Cl:11][c:12]1[cH:13][cH:14][c:15]([CH2:16][CH:17]2[C:18](=[O:50])[N:19]([CH:47]([CH3:48])[CH3:49])[CH2:20][CH:21]3[N:22]2[C:23](=[O:46])[CH:24]([NH:38][C:39](=[O:40])[CH:41]2[NH:42][CH2:43][CH2:44][CH2:45]2)[CH2:25][N:26]3[S:27](=[O:28])(=[O:29])[c:30]2[c:31]([Cl:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[cH:51][cH:52]1.[Na+:10]>>[CH3:1][N:42]1[CH:41]([C:39]([NH:38][CH:24]2[C:23](=[O:46])[N:22]3[CH:17]([CH2:16][c:15]4[cH:14][cH:13][c:12]([Cl:11])[cH:52][cH:51]4)[C:18](=[O:50])[N:19]([CH:47]([CH3:48])[CH3:49])[CH2:20][CH:21]3[N:26]([S:27](=[O:28])(=[O:29])[c:30]3[c:31]([Cl:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[CH2:25]2)=[O:40])[CH2:45][CH2:44][CH2:43]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 59134101HCID 59134101, compound

Product 1

HCID 59134262HCID 59134262, compound

Sources & evidence

ORD record
ord-3b32e4109a0f45d3bd0c7d17d33b215a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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