4-Hydroxybenzaldehyde → 2-Fluoro-4-{3-[5-(4-hydroxy-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenol

反応式

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

参加物

反応物 2

HCID 1264-Hydroxybenzaldehyde

HCID 1785160382-fluoro-4-[3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenol

生成物 1

HCID 1785160782-Fluoro-4-{3-[5-(4-hydroxy-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenol

出典と根拠

ORDレコード: ord-1e88e022f3cc477b9dc3e77ad16f7b0d
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…