Acetic Acid → HCID 21467138, compound

HRID 115223Notes

Reaction equation

HRID 115223 reaction equation
[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH3:37][C:38](=[O:39])[OH:40].[Fe:41].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([s:18][cH:19][cH:20]3)[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]2)[cH:21][cH:22]1.[Na+:24].[OH-:23]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([s:18][cH:19][cH:20]3)[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]2)[cH:21][cH:22]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 23925IronHCID 196990654,5,6,7-tetrahydro-4-(4-nitrobenzoyl)-8H-thieno[3,2-b]azepin-8-one

Product 1

HCID 21467138HCID 21467138, compound

Sources & evidence

ORD record
ord-ddfd5bfbd9734da6861b1cd39efe34b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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