1-Butanol → HCID 18376562, 화합물

HRID 180825노트

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HRID 180825 반응식
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[Cl:18][c:19]1[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]2[c:28]([NH2:34])[cH:29][cH:30][c:31]([Cl:33])[cH:32]2)=[O:35])[cH:23][cH:24]1.[Cl:1][c:2]1[c:3]([C:14](=[O:15])[O-:16])[s:4][cH:5][c:6]1[CH2:7][N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1.[Na+:17].[P:36]([Cl:37])([Cl:38])([Cl:39])=[O:40].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[Cl:1][c:2]1[c:3]([C:14](=[O:16])[NH:34][c:28]2[c:27]([C:26]([NH:25][c:22]3[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]3)=[O:35])[cH:32][c:31]([Cl:33])[cH:30][cH:29]2)[s:4][cH:5][c:6]1[CH2:7][N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1

참가 물질

7

출처 및 근거

ORD 기록
ord-62a8325a326f44d8b64247107f14e12a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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