3-Heptanoylindole → (4-Methoxyphenyl)methyl 4-(3-dec-2-enoylindol-1-yl)butanoate

반응식

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

참가 물질

반응물 3

HCID 224004583-Heptanoylindole

HCID 224004624-Methoxybenzyl 4-bromobutyrate

HCID 537721081-(1H-indol-3-yl)dec-2-en-1-one

생성물 1

HCID 54416406(4-Methoxyphenyl)methyl 4-(3-dec-2-enoylindol-1-yl)butanoate

출처 및 근거

ORD 기록: ord-11163022464b4d56a18592fa076ddaab
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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