Hydrochloric Acid → 7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

HRID 1566656

反応式

HRID 1566656 の反応式
[CH3:17][N:18]1[CH2:19][CH2:20][N:21]([c:24]2[n:25][c:26]([NH2:40])[n:27][c:28](-[c:30]3[cH:31][cH:32][c:33]4[c:38]([cH:39]3)[CH2:37][NH:36][CH2:35][CH2:34]4)[cH:29]2)[CH2:22][CH2:23]1.[ClH:41].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([N:14]=[C:15]=[O:16])[cH:12][cH:13]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[N:36]2[CH2:35][CH2:34][c:33]3[cH:32][cH:31][c:30](-[c:28]4[n:27][c:26]([NH2:40])[n:25][c:24]([N:21]5[CH2:20][CH2:19][N:18]([CH3:17])[CH2:23][CH2:22]5)[cH:29]4)[cH:39][c:38]3[CH2:37]2)[cH:12][cH:13]1

参加物

4

反応物 3

HCID 313Hydrochloric AcidHCID 27348964-Phenoxyphenyl isocyanateHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

生成物 1

HCID 497797057-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

出典と根拠

ORDレコード
ord-d9b5aeb855874a83b939fb61b5827371
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

関連ノート

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