Methanol → HCID 58592716, 화합물

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

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반응물 2

HCID 887Methanol

HCID 58592806(5-{4-[2-(4-tert-Butyl-phenyl)-1H-benzoimidazol-4-yl]-piperazin-1-ylmethyl}-2-nitro-phenyl)-pyridin-3-ylmethyl-amine

생성물 1

HCID 58592716HCID 58592716, 화합물

출처 및 근거

ORD 기록: ord-99fd3b3c9a5c41d1a86b19a225f2325a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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