Acetic Acid → HCID 178523462, compound

HRID 1566070Notes

Reaction equation

HRID 1566070 reaction equation
[C:1](=[O:2])([CH3:3])[S:4][CH:5]1[CH2:6][CH:7]([CH2:23][O:24][CH2:25][CH2:26][NH:27][C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]2)[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]2)[CH2:9]1.[CH3:41][O-:42].[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][OH:49].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Na+:43].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[SH:4][CH:5]1[CH2:6][CH:7]([CH2:23][O:24][CH2:25][CH2:26][NH:27][C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]2)[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]2)[CH2:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 3826051MethoxideHCID 178477022HCID 178477022, compound

Product 1

HCID 178523462HCID 178523462, compound

Sources & evidence

ORD record
ord-a7eeaf06748f4eaeb6e77912800c1ac4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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