Dimethyl Sulfoxide → (2-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)phenyl)methanol

HRID 177235

반응식

HRID 177235 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2.[CH3:35][S:36]([CH3:37])=[O:38].[OH:24][CH2:25][c:26]1[c:27]([B:32]([OH:33])[OH:34])[cH:28][cH:29][cH:30][cH:31]1>>[c:2]1(-[c:27]2[c:26]([CH2:25][OH:24])[cH:31][cH:30][cH:29][cH:28]2)[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2

참가 물질

4

반응물 3

HCID 679Dimethyl SulfoxideHCID 43742622-(Hydroxymethyl)phenylboronic AcidHCID 582043138-bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

생성물 1

HCID 58204493(2-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)phenyl)methanol

출처 및 근거

ORD 기록
ord-ce4b137cc9c64aa98a55d0af38cfafe6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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