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Hydrochloric Acid → 5-(3,3-Dimethyl-but-1-ynyl)-3-[(4-hydroxy-cyclohexyl)-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

HRID 160123
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인쇄 미리보기

반응식

HRID 160123 반응식
[BH4-:34].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]1)[C:18](=[O:19])[CH:20]1[CH2:21][CH2:22][CH:23]([CH3:26])[CH2:24][CH2:25]1.[ClH:36].[Na+:35].[OH2:33]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]1)[C:18](=[O:19])[CH:20]1[CH2:21][CH2:22][CH:23]([CH3:26])[CH2:24][CH2:25]1
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반응물 6

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 581140005-(3,3-Dimethyl-but-1-ynyl)-3-[(4-methyl-cyclohexanecarbonyl)-(4-oxo-cyclohexyl)-amino]-thiophene-2-carboxylic acid methyl ester

생성물 1

HCID 58113991
5-(3,3-Dimethyl-but-1-ynyl)-3-[(4-hydroxy-cyclohexyl)-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-4c91f55144274aefbd30ba5dcf8badd8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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