5-Isocyanato-1,2,3-trimethoxybenzene → 1-[2-(phenyl)-2-(3,4,5-trimethoxyphenylcarbamoyloxy)ethyl]4-(6-fluoro-1-methyl-1H-indazol-3-yl)piperidine

HRID 1569427

반응식

HRID 1569427 반응식
[CH3:27][O:28][c:29]1[cH:30][c:31]([N:39]=[C:40]=[O:41])[cH:32][c:33]([O:37][CH3:38])[c:34]1[O:35][CH3:36].[OH:1][CH:2]([CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([c:10]2[n:11][n:12]([CH3:20])[c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][c:18]23)[CH2:8][CH2:9]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[O:1]([CH:2]([CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([c:10]2[n:11][n:12]([CH3:20])[c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][c:18]23)[CH2:8][CH2:9]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:40]([NH:39][c:31]1[cH:30][c:29]([O:28][CH3:27])[c:34]([O:35][CH3:36])[c:33]([O:37][CH3:38])[cH:32]1)=[O:41]

참가 물질

3

반응물 2

HCID 5177665-Isocyanato-1,2,3-trimethoxybenzeneHCID 189988231-(2-hydroxy-2-phenyl-ethyl)-4-(6-fluoro-1-methyl-1H-indazol-3-yl)-piperidine

생성물 1

HCID 189987951-[2-(phenyl)-2-(3,4,5-trimethoxyphenylcarbamoyloxy)ethyl]4-(6-fluoro-1-methyl-1H-indazol-3-yl)piperidine

출처 및 근거

ORD 기록
ord-b1e47dd2caf94f22b285a083db0160f0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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