5-(Chloromethyl)pyrimidine → 13-Bromo-3-(pyridin-3-ylmethyl)-7-(pyrimidin-5-ylmethoxy)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one

반응식

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

참가 물질

반응물 2

HCID 147202965-(Chloromethyl)pyrimidine

HCID 212528709-bromo-2-hydroxy-5-(3-pyridylmethyl)-4H-pyrido [3,2,1-jk]carbazole-4-one

생성물 1

HCID 1936487013-Bromo-3-(pyridin-3-ylmethyl)-7-(pyrimidin-5-ylmethoxy)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one

출처 및 근거

ORD 기록: ord-b76a979437ad470d94aa858f711fb487
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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