Sodium ion → 6,11-dihydro-11-[1-[2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-4-piperidinylidene]-5H-imidazo[2,1-b][3]benzazepine-3-carboxylic acid
반응식
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[Na+:46].[OH-:45].[OH2:52].[n:1]1[c:2]([CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][C:24](=[C:27]4[c:28]5[n:29]([c:38]([C:41](=[O:42])[O:43][CH3:44])[cH:39][n:40]5)[CH2:30][CH2:31][c:32]5[c:33]4[cH:34][cH:35][cH:36][cH:37]5)[CH2:25][CH2:26]3)[cH:17][cH:18]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[n:1]1[c:2]([CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][C:24](=[C:27]4[c:28]5[n:29]([c:38]([C:41](=[O:42])[OH:43])[cH:39][n:40]5)[CH2:30][CH2:31][c:32]5[c:33]4[cH:34][cH:35][cH:36][cH:37]5)[CH2:25][CH2:26]3)[cH:17][cH:18]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-aaeb87efa6624349968dd202d7361f92
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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