Tert-butyl 2-(6-amino-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl)acetate → Benzyl 2-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate

HRID 126134Notes

Reaction equation

HRID 126134 reaction equation
[Br:23][CH:24]([C:25](=[O:26])[O:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[NH2:1][CH:2]1[C:3](=[O:22])[N:4]([CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH:5]([c:9]2[s:10][cH:11][cH:12][cH:13]2)[CH2:6][S:7][CH2:8]1>>[NH:1]([CH:2]1[C:3](=[O:22])[N:4]([CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH:5]([c:9]2[s:10][cH:11][cH:12][cH:13]2)[CH2:6][S:7][CH2:8]1)[CH:24]([C:25](=[O:26])[O:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1

Participants

3

Reactant 2

HCID 13877950Tert-butyl 2-(6-amino-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl)acetateHCID 19024556Benzyl 2-bromo-4-phenylbutyrate

Product 1

HCID 20164821Benzyl 2-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate

Sources & evidence

ORD record
ord-e7b1a4ee7a684f3995eafb5918560eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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