Ethyl 3-(benzylamino)-3-methylbutanoate → Hydrochloric Acid

HRID 676835

반응식

HRID 676835 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]2[c:9]([OH:19])[cH:10][cH:11][c:12]([C:15]([CH2:16][Cl:17])=[O:18])[c:13]2[cH:14]1.[CH2:20]([CH3:21])[O:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[NH:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]2[c:9]([OH:19])[cH:10][cH:11][c:12]([C:15]([CH2:16][N:28]([C:25]([CH2:24][C:23]([O:22][CH2:20][CH3:21])=[O:36])([CH3:26])[CH3:27])[CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:18])[c:13]2[cH:14]1.[ClH:17]

참가 물질

4

반응물 2

HCID 288946Ethyl 3-(benzylamino)-3-methylbutanoateHCID 13243454Ethyl 4-(chloroacetyl)-7-hydroxy-1H-indole-2-carboxylate

생성물 2

HCID 313Hydrochloric AcidHCID 53963828ethyl 4-[2-[benzyl-(4-ethoxy-2-methyl-4-oxobutan-2-yl)amino]acetyl]-7-hydroxy-1H-indole-2-carboxylate

출처 및 근거

ORD 기록
ord-abb1441e88ed4796b84ce379d01ee5cb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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