Acetic Acid → HCID 20785954, compound

HRID 2126396Notes

Reaction equation

HRID 2126396 reaction equation
[C:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:39][C:40](=[O:41])[OH:42].[CH:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]1.[Cl:43][CH:44]([Cl:45])[CH3:46].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]2.[Na+:38]>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]2)[CH2:13][c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 8028TetrahydrofuranHCID 15294Methyl 4-FormylbenzoateHCID 156302-Amino-6-methoxybenzothiazoleHCID 2724942Triacetoxyborohydride

Product 1

HCID 20785954HCID 20785954, compound

Sources & evidence

ORD record
ord-df8292a1f72645a2bfde6b5c2245ac8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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