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Hydrochloric Acid → 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-octoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

HRID 2127283
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인쇄 미리보기

반응식

HRID 2127283 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([OH:21])[cH:13][cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20].[CH2:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[Br:30].[CH3:35][S:36]([CH3:37])=[O:38].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[ClH:32].[Na+:34].[OH-:33].[OH2:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:13][cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 81401-BromooctaneHCID 8857Ethyl AcetateHCID 381020
2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

생성물 1

HCID 211822742-[(2-methylpropan-2-yl)oxycarbonyl]-7-octoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-d7e722d6ecbe40d98b80541819d7e941
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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