t-Butyl 3-(4-aminocyclohexyl)propionate → tert-butyl 3-[4-[[5-(N-phenylmethoxycarbonylcarbamimidoyl)-1-benzofuran-2-carbonyl]amino]cyclohexyl]propanoate

반응식

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

참가 물질

반응물 2

HCID 18919405t-Butyl 3-(4-aminocyclohexyl)propionate

HCID 1403812485-(N-phenylmethoxycarbonylcarbamimidoyl)-1-benzofuran-2-carboxylic acid

생성물 1

HCID 141572818tert-butyl 3-[4-[[5-(N-phenylmethoxycarbonylcarbamimidoyl)-1-benzofuran-2-carbonyl]amino]cyclohexyl]propanoate

출처 및 근거

ORD 기록: ord-3965abdb6c974040896245f0b96ea274
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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