1-[3-(Bromomethyl)phenyl]-1H-pyrrole → 2-[[6-(3-Aminopiperidin-1-yl)-2,4-dioxo-3-[(3-pyrrol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile

반응식

[Br:34][CH2:35][c:36]1[cH:37][c:38](-[n:42]2[cH:43][cH:44][cH:45][cH:46]2)[cH:39][cH:40][cH:41]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][c:27]([C:31]#[N:32])[cH:28][cH:29][cH:30]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:25]3[cH:26][c:27](-[n:42]4[cH:43][cH:44][cH:45][cH:46]4)[cH:28][cH:29][cH:30]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 27765301-[3-(Bromomethyl)phenyl]-1H-pyrrole

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 236527632-[[6-(3-Aminopiperidin-1-yl)-2,4-dioxo-3-[(3-pyrrol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile

출처 및 근거

ORD 기록: ord-051d927f508746cf8292c1866806b8af
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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