Sodium ion → 1-Acetyl-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline-6-carboxylic acid

HRID 153704노트

반응식

HRID 153704 반응식
[CH3:3][O:4][C:5](=[O:6])[c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[N:13]([C:17]([CH3:18])=[O:19])[C:12]([CH3:20])([CH3:21])[CH2:11][C:10]2([CH3:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Na+:2].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[OH-:1].[OH2:29].[OH2:30]>>[O:4]=[C:5]([OH:6])[c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[N:13]([C:17]([CH3:18])=[O:19])[C:12]([CH3:20])([CH3:21])[CH2:11][C:10]2([CH3:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1

참가 물질

6

출처 및 근거

ORD 기록
ord-253506b22e054f74bbb3fc123a08f7a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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