Water → 2-Amino-3-cyano-4-benzylamino-6-(4-acetylpiperazin-1-yl)quinoline

반응식

[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([N:15]3[CH2:16][CH2:17][N:18]([C:21]([CH3:22])=[O:23])[CH2:19][CH2:20]3)[cH:8][c:9]2[c:10]([Cl:14])[c:11]1[C:12]#[N:13].[NH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH2:32]>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([N:15]3[CH2:16][CH2:17][N:18]([C:21]([CH3:22])=[O:23])[CH2:19][CH2:20]3)[cH:8][c:9]2[c:10]([NH:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:11]1[C:12]#[N:13]

참가 물질

반응물 3

HCID 962Water

HCID 7504Benzylamine

HCID 670236312-Amino-3-cyano-4-chloro-6-(4-acetylpiperazin-1-yl)quinoline

생성물 1

HCID 670236072-Amino-3-cyano-4-benzylamino-6-(4-acetylpiperazin-1-yl)quinoline

출처 및 근거

ORD 기록: ord-a7b6382cdf1a4a729eb911e663fd2586
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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