Hydrochloric Acid → Hydrochloric Acid

HRID 148408

반응식

HRID 148408 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][CH:12]([CH:13]([S:14][CH2:15][CH2:16][NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:25]1[cH:26][cH:27][cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12)[C:35](=[O:36])[O:37][CH3:38].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[ClH:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([S:14][CH2:15][CH2:16][NH2:17])[c:25]1[cH:26][cH:27][cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12)[C:35](=[O:36])[O:37][CH3:38].[ClH:39]

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 68607665Methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoate

생성물 2

HCID 313Hydrochloric AcidHCID 68605808Methyl 3-(2-aminoethylsulfanyl)-3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoate

출처 및 근거

ORD 기록
ord-fbaa1b8a63cf48128d5416077530421f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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