HCID 12003986, 화합물 → 3-(3-(Benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindolin-3-yl)propanoic acid

반응식

[O:1]1[c:2]2[cH:3][cH:4][c:5]([C:6]3([CH2:7][C:8]([O:9][CH3:10])=[O:11])[c:12]4[c:13]([cH:14][cH:15][cH:16][cH:17]4)[N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[C:24]3=[O:25])[cH:26][c:27]2[O:28][CH2:29]1.[O:30]1[CH2:31][O:32][c:33]2[c:34]1[cH:35][cH:36][c:37]([C:39]1([CH2:54][CH2:55][C:56](=[O:57])[O:58][CH3:59])[C:40](=[O:53])[N:41]([CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]31)[cH:38]2>>[O:30]1[CH2:31][O:32][c:33]2[c:34]1[cH:35][cH:36][c:37]([C:39]1([CH2:54][CH2:55][C:56](=[O:57])[OH:58])[C:40](=[O:53])[N:41]([CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[c:42]3[cH:43][cH:44][cH:45][cH:46][c:47]31)[cH:38]2

참가 물질

반응물 2

HCID 12003986HCID 12003986, 화합물

HCID 54587535HCID 54587535, 화합물

생성물 1

HCID 545864993-(3-(Benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindolin-3-yl)propanoic acid

출처 및 근거

ORD 기록: ord-6ec03793d8e6400eb23e128034168433
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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