N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide → HCID 178494074, 화합물

반응식

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

참가 물질

반응물 2

HCID 59564698N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide

HCID 1785273202-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-[1-(benzenesulfonyl)-6-bromoindazol-4-yl]-1,3,4-oxadiazole

생성물 1

HCID 178494074HCID 178494074, 화합물

출처 및 근거

ORD 기록: ord-79297ef0b1334512b36bd1701e0248fa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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