Water → 2-[2-(3-Bromo-2-pyridylmethylthio)-ethylamino]-5-(3-pyridylmethyl)-4-pyrimidone

반응식

[Br:17][c:18]1[c:19]([CH2:24][S:25][CH2:26][CH2:27][NH2:28])[n:20][cH:21][cH:22][cH:23]1.[OH2:29].[n:1]1[cH:2][c:3]([CH2:7][c:8]2[c:9](=[O:16])[nH:10][c:11]([S:14][CH3:15])[n:12][cH:13]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH2:7][c:8]2[c:9](=[O:16])[nH:10][c:11]([NH:28][CH2:27][CH2:26][S:25][CH2:24][c:19]3[c:18]([Br:17])[cH:23][cH:22][cH:21][n:20]3)[n:12][cH:13]2)[cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 962Water

HCID 127838233-Pyridylmethyl-2-methylthio-4-pyrimidone

HCID 129515272-{[(3-Bromopyridin-2-yl)methyl]sulfanyl}ethan-1-amine

생성물 1

HCID 30489142-[2-(3-Bromo-2-pyridylmethylthio)-ethylamino]-5-(3-pyridylmethyl)-4-pyrimidone

출처 및 근거

ORD 기록: ord-c944feb2247044d49ebb9305e2a60126
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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