Acetic Acid → HCID 13338633, compound

HRID 670713Notes

Reaction equation

HRID 670713 reaction equation
[BH4-:29].[CH3:15][O:16][c:17]1[cH:18][c:19]([CH:20]=[O:21])[cH:22][c:23]([O:27][CH3:28])[c:24]1[O:25][CH3:26].[CH3:34][C:35](=[O:36])[OH:37].[N:1]1=[C:6]2[N:5]([CH2:4][CH2:3][CH2:2]1)[c:9]1[c:8]([cH:13][cH:12][c:11]([NH2:14])[cH:10]1)[S:7]2.[NH4+:31].[Na+:30].[OH-:32].[OH2:33]>>[N:1]1=[C:6]2[N:5]([CH2:4][CH2:3][CH2:2]1)[c:9]1[c:8]([cH:13][cH:12][c:11]([NH:14][CH2:20][c:19]3[cH:18][c:17]([O:16][CH3:15])[c:24]([O:25][CH3:26])[c:23]([O:27][CH3:28])[cH:22]3)[cH:10]1)[S:7]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 68583,4,5-TrimethoxybenzaldehydeHCID 28123BorohydrideHCID 133385843,4-Dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine

Product 1

HCID 13338633HCID 13338633, compound

Sources & evidence

ORD record
ord-2ee6ac6797154abf918622d40554a10e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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