Hydrochloric Acid → HCID 59135783, compound

HRID 160778Notes

Reaction equation

HRID 160778 reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[CH:7]1[CH2:8][N:9]=[C:10]([c:12]2[nH:13][c:14]3[c:15]([N:21]([S:22](=[O:23])(=[O:24])[c:25]4[s:26][cH:27][cH:28][n:29]4)[CH3:30])[cH:16][cH:17][cH:18][c:19]3[cH:20]2)[S:11]1.[CH3:36][CH2:37][OH:38].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:47].[Na+:40].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:39]>>[CH2:3]([C:4](=[O:5])[OH:6])[CH:7]1[CH2:8][N:9]=[C:10]([c:12]2[nH:13][c:14]3[c:15]([N:21]([S:22](=[O:23])(=[O:24])[c:25]4[s:26][cH:27][cH:28][n:29]4)[CH3:30])[cH:16][cH:17][cH:18][c:19]3[cH:20]2)[S:11]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 178454656HCID 178454656, compound

Product 1

HCID 59135783HCID 59135783, compound

Sources & evidence

ORD record
ord-74524a1502c4407babfb6b79ccaf6eba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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