Methanol → N-[[4-[4-[[6-[[2-Hydroxy-2-(2-phenyl-4H-1,3-dioxino[5,4-b]pyridin-6-yl]ethyl](phenylmethyl)amino]hexyl]oxy]-1-butynyl]phenyl]methyl]pentanamide

HRID 102264

반응식

HRID 102264 반응식
[CH3:53][OH:54].[O:1]1[CH:2]([c:4]2[cH:5][cH:6][c:7]3[c:8]([n:9]2)[CH2:10][O:11][CH:12]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[O:13]3)[CH2:3]1.[c:20]1([CH2:26][NH:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][C:37]#[C:38][c:39]2[cH:40][cH:41][c:42]([CH2:45][NH:46][C:47]([CH2:48][CH2:49][CH2:50][CH3:51])=[O:52])[cH:43][cH:44]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[OH:1][CH:2]([CH2:3][N:27]([CH2:26][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][C:37]#[C:38][c:39]1[cH:40][cH:41][c:42]([CH2:45][NH:46][C:47]([CH2:48][CH2:49][CH2:50][CH3:51])=[O:52])[cH:43][cH:44]1)[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9]1)[CH2:10][O:11][CH:12]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:13]2

참가 물질

4

반응물 3

HCID 887MethanolHCID 137484036-(1,2-epoxyethyl)-2-phenyl-4H-1,3-dioxino[5,4-b]pyridineHCID 19862690N-[[4-[4-[[6-[(phenylmethyl)amino]hexyl]oxy]-1-butynyl]phenyl]methyl]pentanamide

생성물 1

HCID 19862666N-[[4-[4-[[6-[[2-Hydroxy-2-(2-phenyl-4H-1,3-dioxino[5,4-b]pyridin-6-yl]ethyl](phenylmethyl)amino]hexyl]oxy]-1-butynyl]phenyl]methyl]pentanamide

출처 및 근거

ORD 기록
ord-bbdd35262ae643938dc10109a1cd9a14
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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