2-(3-(Benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindolin-3-yl)acetic acid → 1-pentyl-6''H-spiro[indoline-3,5''-naphtho[2,3-d][1,3]dioxole]-2,8''(7''H)-dione
반응식
[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([CH2:25][CH2:26][C:27](=[O:28])[OH:29])[C:11](=[O:24])[N:12]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]31)[cH:9]2.[O:30]1[c:31]2[cH:32][cH:33][c:34]([C:35]3([CH2:36][C:37]([OH:38])=[O:39])[c:40]4[c:41]([cH:42][cH:43][cH:44][cH:45]4)[N:46]([CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[C:52]3=[O:53])[cH:54][c:55]2[O:56][CH2:57]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][c:7]1[c:8]([cH:9]2)[C:10]2([C:11](=[O:24])[N:12]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[CH2:25][CH2:26][C:27]1=[O:29]참가 물질
3
출처 및 근거
- ORD 기록
- ord-0b14eba919a64288acca119306e9f5d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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