4-(Dimethylamino)pyridine → Pyrimidine-5-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide

HRID 676935

반응식

HRID 676935 반응식
[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[CH:10]1([CH2:13][n:14]2[c:15](=[O:41])[n:16]([CH2:33][c:34]3[c:35]([F:40])[cH:36][cH:37][cH:38][cH:39]3)[c:17](=[O:32])[c:18]3[nH:19][c:20]([CH2:23][c:24]4[cH:25][cH:26][c:27]([NH:30][CH3:31])[cH:28][cH:29]4)[n:21][c:22]23)[CH2:11][CH2:12]1.[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[cH:6]1>>[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:9])[N:30]([c:27]2[cH:26][cH:25][c:24]([CH2:23][c:20]3[nH:19][c:18]4[c:17](=[O:32])[n:16]([CH2:33][c:34]5[c:35]([F:40])[cH:36][cH:37][cH:38][cH:39]5)[c:15](=[O:41])[n:14]([CH2:13][CH:10]5[CH2:11][CH2:12]5)[c:22]4[n:21]3)[cH:29][cH:28]2)[CH3:31])[cH:6]1

참가 물질

4

반응물 3

HCID 142844-(Dimethylamino)pyridineHCID 78346Pyrimidine-5-carboxylic acidHCID 218916913-Cyclopropylmethyl-8-[4-(methylamino)-benzyl]-1-(2-fluorobenzyl)-3,7-dihydropurine-2,6-dione

생성물 1

HCID 10098770Pyrimidine-5-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide

출처 및 근거

ORD 기록
ord-82db6c7260c34021bc842248e244b3ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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