N,N-Diethyl-1,4-butanediamine → N-[2-(3-Cyano-1H-indol-5-yl)ethyl]-4-[2-(4-diethylaminobutylamino)pyrimidin-4-yl]benzamide

HRID 185055

반응식

HRID 185055 반응식
[C:11](#[N:12])[c:13]1[cH:14][nH:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][CH2:23][NH:24][C:25]([c:26]3[cH:27][cH:28][c:29](-[c:32]4[n:33][c:34]([Cl:38])[n:35][cH:36][cH:37]4)[cH:30][cH:31]3)=[O:39])[cH:20][c:21]12.[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][CH2:7][NH2:8])[CH2:9][CH3:10]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][CH2:7][NH:8][c:34]1[n:33][c:32](-[c:29]2[cH:28][cH:27][c:26]([C:25]([NH:24][CH2:23][CH2:22][c:19]3[cH:18][cH:17][c:16]4[nH:15][cH:14][c:13]([C:11]#[N:12])[c:21]4[cH:20]3)=[O:39])[cH:31][cH:30]2)[cH:37][cH:36][n:35]1)[CH2:9][CH3:10]

참가 물질

3

반응물 2

HCID 117976N,N-Diethyl-1,4-butanediamineHCID 18617562N-[2-(3-Cyano-1H-indol-5-yl)-ethyl]-4-[2-chloropyrimidin-4-yl]benzamide

생성물 1

HCID 18617727N-[2-(3-Cyano-1H-indol-5-yl)ethyl]-4-[2-(4-diethylaminobutylamino)pyrimidin-4-yl]benzamide

출처 및 근거

ORD 기록
ord-b533b4ea709d40fb94893e2bc1411bc0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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