Ethyl alpha-oxobenzenebutanoate → HCID 13454545, compound

HRID 1218982Notes

Reaction equation

HRID 1218982 reaction equation
[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:29][C:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])=[O:36].[NH2:1][CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9]>>[NH:1]([CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9])[CH:30]([CH2:29][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:31](=[O:32])[O:33][CH2:34][CH3:35]

Participants

3

Reactant 2

HCID 562087Ethyl alpha-oxobenzenebutanoateHCID 134545423-amino-5-t-butoxycarbonylmethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Product 1

HCID 13454545HCID 13454545, compound

Sources & evidence

ORD record
ord-f214dc208145431d8f9fa8789c60c211
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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