Tetrahydrofuran → N-(3-isoquinolin-8-ylpropyl)-5,5-bis(4-methoxyphenyl)penta-2,4-dienamide

반응식

[N+:1]([c:2]1[cH:3][cH:4][c:5]([O:6][C:11]([CH:12]=[CH:13][CH:14]=[C:15]([c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)=[O:32])[cH:7][cH:8]1)([O-:9])=[O:10].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[cH:33]1[n:34][cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][c:41]([CH2:43][CH2:44][CH2:45][NH2:46])[c:42]12>>[C:11]([CH:12]=[CH:13][CH:14]=[C:15]([c:16]1[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]1)[c:24]1[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1)(=[O:32])[NH:46][CH2:45][CH2:44][CH2:43][c:41]1[cH:40][cH:39][cH:38][c:37]2[cH:36][cH:35][n:34][cH:33][c:42]21

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 149941278-Isoquinolinepropanamine

HCID 53923109(4-Nitrophenyl) 5,5-bis(4-methoxyphenyl)penta-2,4-dienoate

생성물 1

HCID 54277665N-(3-isoquinolin-8-ylpropyl)-5,5-bis(4-methoxyphenyl)penta-2,4-dienamide

출처 및 근거

ORD 기록: ord-bd841ad9b7f64eaaba8f082ea635bce6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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