Acetic Acid → HCID 178471254, compound

HRID 674370Notes

Reaction equation

HRID 674370 reaction equation
[CH3:1][CH2:2][OH:3].[CH3:25][c:26]1[cH:27][cH:28][c:29]([CH2:32][CH2:33][C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])=[O:40])[cH:30][cH:31]1.[CH3:41][C:42](=[O:43])[OH:44].[NH2:4][CH:5]1[CH2:6][S:7][c:8]2[c:9]([cH:21][cH:22][cH:23][cH:24]2)[N:10]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:11]1=[O:12]>>[NH:4]([CH:5]1[CH2:6][S:7][c:8]2[c:9]([cH:21][cH:22][cH:23][cH:24]2)[N:10]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:11]1=[O:12])[CH:34]([CH2:33][CH2:32][c:29]1[cH:28][cH:27][c:26]([CH3:25])[cH:31][cH:30]1)[C:35](=[O:36])[O:37][CH2:38][CH3:39]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 13201329Ethyl 4-(p-methylphenyl)-2-oxobutyrateHCID 134545423-amino-5-t-butoxycarbonylmethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Product 1

HCID 178471254HCID 178471254, compound

Sources & evidence

ORD record
ord-d4c7639550bd4c638911e788e5f7d03c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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