Toluene → 4-(6-Chloronaphthalene-2-sulfonyl)-1-[1-(3-pyridyl)-4-piperidinylideneamino]-2-piperazinone

반응식

[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[NH2:1][N:2]1[C:3](=[O:22])[CH2:4][N:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][c:13]3[cH:14][cH:15][c:16]([Cl:21])[cH:17][c:18]3[cH:19][cH:20]2)[CH2:6][CH2:7]1.[n:23]1[cH:24][c:25]([N:29]2[CH2:30][CH2:31][C:32](=[O:35])[CH2:33][CH2:34]2)[cH:26][cH:27][cH:28]1>>[N:1]([N:2]1[C:3](=[O:22])[CH2:4][N:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][c:13]3[cH:14][cH:15][c:16]([Cl:21])[cH:17][c:18]3[cH:19][cH:20]2)[CH2:6][CH2:7]1)=[C:32]1[CH2:31][CH2:30][N:29]([c:25]2[cH:24][n:23][cH:28][cH:27][cH:26]2)[CH2:34][CH2:33]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 227270511-(Pyridin-3-yl)piperidin-4-one

HCID 227270831-Amino-4-(6-chloronaphthalene-2-sulfonyl)-2-piperazinone

생성물 1

HCID 695456324-(6-Chloronaphthalene-2-sulfonyl)-1-[1-(3-pyridyl)-4-piperidinylideneamino]-2-piperazinone

출처 및 근거

ORD 기록: ord-127649b4e5504a90bb78e5f626e75193
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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