3,4-Dichlorophenyl isocyanate → 2-[1-(1-(3,4-Dichlorophenylcarbamoyl)piperidin-3-yl)ethylamino]-4-[benzimidazol-1-yl]pyrimidine

반응식

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

참가 물질

반응물 2

HCID 76073,4-Dichlorophenyl isocyanate

HCID 183326302-[1-(Piperidin-3-yl)-ethylamino]-4-[benzimidazol-1-yl]pyrimidine

생성물 1

HCID 183326012-[1-(1-(3,4-Dichlorophenylcarbamoyl)piperidin-3-yl)ethylamino]-4-[benzimidazol-1-yl]pyrimidine

출처 및 근거

ORD 기록: ord-e2ce3a814f16411690bffb71682d4fde
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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