4-(Bromomethyl)benzonitrile → 2-[[6-(3-Aminopiperidin-1-yl)-3-[(4-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile

반응식

[C:34](#[N:35])[c:36]1[cH:37][cH:38][c:39]([CH2:40][Br:41])[cH:42][cH:43]1.[NH2:1][CH:2]1[CH2:3][N:4]([c:8]2[cH:9][c:10](=[O:33])[n:11]([CH2:24][c:25]3[cH:26][cH:27][cH:28][c:29]([C:30]#[N:31])[cH:32]3)[c:12](=[O:23])[n:13]2[CH2:14][c:15]2[c:16]([C:17]#[N:18])[cH:19][cH:20][cH:21][cH:22]2)[CH2:5][CH2:6][CH2:7]1>>[NH2:1][CH:2]1[CH2:3][N:4]([c:8]2[cH:9][c:10](=[O:33])[n:11]([CH2:24][c:39]3[cH:38][cH:37][c:36]([C:34]#[N:35])[cH:43][cH:42]3)[c:12](=[O:23])[n:13]2[CH2:14][c:15]2[c:16]([C:17]#[N:18])[cH:19][cH:20][cH:21][cH:22]2)[CH2:5][CH2:6][CH2:7]1

참가 물질

반응물 2

HCID 869964-(Bromomethyl)benzonitrile

HCID 112244562-{6-[3-Amino-piperidin-1-yl]-3-(3-cyano-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile

생성물 1

HCID 666740382-[[6-(3-Aminopiperidin-1-yl)-3-[(4-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile

출처 및 근거

ORD 기록: ord-f8de4da1c0e9453caffeac9506b4dc19
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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