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Hydrochloric Acid → 3,3-Dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid

HRID 2335379
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반응식

HRID 2335379 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([N:21]3[CH2:22][CH2:23][N:24]([c:27]4[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]4)[CH2:25][CH2:26]3)[cH:18][cH:19][cH:20]1)[C:11]([CH3:34])([CH3:35])[CH2:10]2.[CH3:41][OH:42].[ClH:40].[Li+:38].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:37].[OH2:36].[OH2:39]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([N:21]3[CH2:22][CH2:23][N:24]([c:27]4[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]4)[CH2:25][CH2:26]3)[cH:18][cH:19][cH:20]1)[C:11]([CH3:34])([CH3:35])[CH2:10]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 674428223,3-Dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester

생성물 1

HCID 534920403,3-Dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid

출처 및 근거

ORD 기록
ord-c3af69ceab3147df8206680ef7449e5a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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