Ammonia → 2-[(3-aminopropyl)[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide

反応式

[C:1](#[N:2])[CH2:3][CH2:4][N:5]([CH2:6][C:7](=[O:8])[NH:9][CH2:10][CH2:11][c:12]1[cH:13][c:14]2[c:15]([cH:19][cH:20]1)[O:16][CH2:17][O:18]2)[c:21]1[n:22][c:23](-[n:28]2[cH:29][n:30][cH:31][cH:32]2)[n:24][c:25]([CH3:27])[cH:26]1.[CH3:34][OH:35].[NH3:33]>>[CH2:1]([NH2:2])[CH2:3][CH2:4][N:5]([CH2:6][C:7](=[O:8])[NH:9][CH2:10][CH2:11][c:12]1[cH:13][c:14]2[c:15]([cH:19][cH:20]1)[O:16][CH2:17][O:18]2)[c:21]1[n:22][c:23](-[n:28]2[cH:29][n:30][cH:31][cH:32]2)[n:24][c:25]([CH3:27])[cH:26]1

参加物

反応物 3

HCID 222Ammonia

HCID 887Methanol

HCID 99325722-[(2-cyanoethyl)[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide

生成物 1

HCID 99109492-[(3-aminopropyl)[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide

出典と根拠

ORDレコード: ord-843d53e4d06d4ff99c3427b74e1dbbdf
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…