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Hydrochloric Acid → Hydrochloric Acid

HRID 90198
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HRID 90198 반응식
[B:34]([Br:35])([Br:36])[Br:37].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[CH3:44][OH:45].[CH:1]([CH3:2])([CH3:3])[N:4]([C:5](=[O:6])[c:7]1[c:8]([CH3:30])[c:9]2[c:10]([nH:29]1)[CH2:11][C:12]1([c:21]3[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][cH:26]3)[CH2:13][CH2:14][N:15]([CH2:19][CH3:20])[CH2:16][CH:17]1[CH2:18]2)[CH:31]([CH3:32])[CH3:33].[ClH:38]>>[CH:1]([CH3:2])([CH3:3])[N:4]([C:5](=[O:6])[c:7]1[c:8]([CH3:30])[c:9]2[c:10]([nH:29]1)[CH2:11][C:12]1([c:21]3[cH:22][c:23]([OH:27])[cH:24][cH:25][cH:26]3)[CH2:13][CH2:14][N:15]([CH2:19][CH3:20])[CH2:16][CH:17]1[CH2:18]2)[CH:31]([CH3:32])[CH3:33].[ClH:38]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3283Diethyl EtherHCID 25134Boron tribromideHCID 189361976-ethyl-8a-(3-methoxyphenyl)-3-methyl-N,N-di(propan-2-yl)-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide

생성물 2

HCID 313Hydrochloric Acid
HCID 17876691
6-ethyl-8a-(3-hydroxyphenyl)-3-methyl-N,N-di(propan-2-yl)-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide

출처 및 근거

ORD 기록
ord-8e8f566693324aaa81267edffc4bc7f0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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