4-Oxiranylmethoxy-1,3-dihydro-2-benzimidazolone → 4-[2-Hydroxy-3-[2-[4-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]amino]phenyl]ethylamino]propoxy]-1,3-dihydrobenzimidazol-2-one

반응식

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

참가 물질

반응물 2

HCID 129015214-Oxiranylmethoxy-1,3-dihydro-2-benzimidazolone

HCID 18173956HCID 18173956, 화합물

생성물 1

HCID 700340194-[2-Hydroxy-3-[2-[4-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]amino]phenyl]ethylamino]propoxy]-1,3-dihydrobenzimidazol-2-one

출처 및 근거

ORD 기록: ord-cef00a859b0f4ec980596d7ccc62b0ef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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