Acetonitrile → 2-(5-(4-(2-Morpholinoethoxy)phenyl)pyridin-2-yl)acetonitrile

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 23635314Tirbanibulin

HCID 441854204-(2-(4-(6-Fluoropyridin-3-yl)phenoxy)ethyl)morpholine

생성물 1

HCID 441854212-(5-(4-(2-Morpholinoethoxy)phenyl)pyridin-2-yl)acetonitrile

출처 및 근거

ORD 기록: ord-434ca2d5ae4c427594dcbee871335e18
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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