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Methanol → 4-[3-(2-{4-[2-(2-Cyclopentyl-ethyl)-imidazo[4,5-b]pyridin-3-yl]-phenyl}-ethylamino)-2-hydroxy-propoxy]-1,3-dihydro-benzoimidazol-2-one

HRID 165576
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HRID 165576 반응식
[CH3:41][OH:42].[CH:1]1([CH2:6][CH2:7][c:8]2[n:9][c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[n:16]2-[c:17]2[cH:18][cH:19][c:20]([CH2:21][CH2:22][NH2:23])[cH:24][cH:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:43]([Cl:44])([Cl:45])[Cl:46].[O:26]1[CH:27]([CH2:29][O:30][c:31]2[cH:32][cH:33][cH:34][c:35]3[nH:36][c:37](=[O:40])[nH:38][c:39]23)[CH2:28]1>>[CH:1]1([CH2:6][CH2:7][c:8]2[n:9][c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[n:16]2-[c:17]2[cH:18][cH:19][c:20]([CH2:21][CH2:22][NH:23][CH2:28][CH:27]([OH:26])[CH2:29][O:30][c:31]3[cH:32][cH:33][cH:34][c:35]4[nH:36][c:37](=[O:40])[nH:38][c:39]34)[cH:24][cH:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
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반응물 4

HCID 887MethanolHCID 6212ChloroformHCID 129015214-Oxiranylmethoxy-1,3-dihydro-2-benzimidazoloneHCID 186196114-[2-(2-Cyclopentylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]phenethylamine

생성물 1

HCID 99152684-[3-(2-{4-[2-(2-Cyclopentyl-ethyl)-imidazo[4,5-b]pyridin-3-yl]-phenyl}-ethylamino)-2-hydroxy-propoxy]-1,3-dihydro-benzoimidazol-2-one

출처 및 근거

ORD 기록
ord-8f7b0f8571f14e58a1100da3d1f0590b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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