1-Butanol → HCID 58149909, 화합물

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

참가 물질

반응물 3

HCID 2631-Butanol

HCID 143452tert-Butyl piperazine-1-carboxylate

HCID 58149900HCID 58149900, 화합물

생성물 1

HCID 58149909HCID 58149909, 화합물

출처 및 근거

ORD 기록: ord-9709d0cb13624be0b01efb3c3e6990c5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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