Water → 1-Ethyl-4-hydroxy-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic Acid Methyl Ester

반응식

[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[CH3:1][O:2][C:3]([CH2:4][C:5]1([CH2:19][CH3:20])[O:6][CH2:7][CH:8]([NH2:18])[c:9]2[c:10]1[nH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][c:17]21)=[O:21].[OH2:22]>>[CH3:1][O:2][C:3]([CH2:4][C:5]1([CH2:19][CH3:20])[O:6][CH2:7][CH:8]([OH:22])[c:9]2[c:10]1[nH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][c:17]21)=[O:21]

참가 물질

반응물 3

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 543235014-Amino-1-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid methyl ester

생성물 1

HCID 140647231-Ethyl-4-hydroxy-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic Acid Methyl Ester

출처 및 근거

ORD 기록: ord-31f0fa9f50664b30b6c4566cf289cb99
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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