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Acetic Acid → HCID 58926735, 화합물

HRID 302730
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HRID 302730 반응식
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:31][C:32](=[O:33])[OH:34].[CH:35]([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[N:41]1[CH:42]([CH2:54][CH3:55])[CH2:43][CH:44]([NH2:53])[c:45]2[n:46][c:47]([O:51][CH3:52])[cH:48][cH:49][c:50]21.[Cl-:56].[Cl:58][CH:59]([Cl:60])[CH3:61].[F:15][C:16]([c:17]1[cH:18][c:19]([CH:20]=[O:21])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30].[NH4+:57].[Na+:14]>>[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][NH:53][CH:44]2[CH2:43][CH:42]([CH2:54][CH3:55])[N:41]([C:39]([O:38][CH:35]([CH3:36])[CH3:37])=[O:40])[c:50]3[c:45]2[n:46][c:47]([O:51][CH3:52])[cH:48][cH:49]3)[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 63651,1-DichloroethaneHCID 1362473,5-Bis(trifluoromethyl)benzaldehydeHCID 2724942Triacetoxyborohydride
HCID 58926728
HCID 58926728, 화합물

생성물 1

HCID 58926735HCID 58926735, 화합물

출처 및 근거

ORD 기록
ord-1323b7b4ac6c47788f3955bc28eef312
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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