3-tert-Butyl-5-isocyanato-1-p-tolyl-1H-pyrazole → 1-(3-Tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2,3-dioxo-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-8-yloxy)-2-fluorophenyl)urea

反応式

[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[n:27][n:28](-[c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[c:29]([N:31]=[C:32]=[O:33])[cH:30]1.[NH2:1][c:2]1[c:3]([F:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[nH:13][c:14](=[O:18])[c:15](=[O:17])[nH:16]3)[cH:19][cH:20]1>>[NH:1]([c:2]1[c:3]([F:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[nH:13][c:14](=[O:18])[c:15](=[O:17])[nH:16]3)[cH:19][cH:20]1)[C:32]([NH:31][c:29]1[n:28](-[c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[n:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:30]1)=[O:33]

参加物

反応物 2

HCID 179878553-tert-Butyl-5-isocyanato-1-p-tolyl-1H-pyrazole

HCID 595888758-(4-Amino-3-fluorophenoxy)pyrido[3,2-b]pyrazine-2,3(1H,4H)-dione

生成物 1

HCID 441325331-(3-Tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2,3-dioxo-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-8-yloxy)-2-fluorophenyl)urea

出典と根拠

ORDレコード: ord-aed9f3676806427d8598d94e81869710
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…