Chlorophenyl isocyanate → 1-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-(2-chloro-phenyl)-urea

反応式

[Cl:26][c:27]1[c:28]([N:33]=[C:34]=[O:35])[cH:29][cH:30][cH:31][cH:32]1.[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[c:19]([NH2:25])[cH:20][cH:21][c:22]([F:24])[cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[c:19]([NH:25][C:34]([NH:33][c:28]4[c:27]([Cl:26])[cH:32][cH:31][cH:30][cH:29]4)=[O:35])[cH:20][cH:21][c:22]([F:24])[cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

参加物

反応物 2

HCID 76833Chlorophenyl isocyanate

HCID 219632182-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenylamine

生成物 1

HCID 219633541-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-(2-chloro-phenyl)-urea

出典と根拠

ORDレコード: ord-a3dc52b9da5549a0bb78bca58953165a
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…