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1,2-Dichloroethane → HCID 178472669, 화합물

HRID 1536097
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HRID 1536097 반응식
[C:29]([CH:30]=[O:31])(=[O:32])[O:33][CH2:34][CH3:35].[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:54]([BH3-:55])#[N:56].[CH3:36][C:37](=[O:38])[OH:39].[Cl:58][CH2:59][CH2:60][Cl:61].[NH2:1][c:2]1[c:3]([O:9][CH2:10][C:11](=[O:12])[N:13]2[CH:14]([CH3:28])[CH2:15][N:16]([CH2:20][c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH:17]([CH3:19])[CH2:18]2)[n:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:53].[Na+:57].[OH2:62]>>[NH:1]([c:2]1[c:3]([O:9][CH2:10][C:11](=[O:12])[N:13]2[CH:14]([CH3:28])[CH2:15][N:16]([CH2:20][c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH:17]([CH3:19])[CH2:18]2)[n:4][cH:5][c:6]([Cl:8])[cH:7]1)[CH2:30][C:29](=[O:32])[O:33][CH2:34][CH3:35]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium Ion2회HCID 962WaterHCID 70211Ethyl oxoacetateHCID 498716Cyano-borohydrideHCID 2724942Triacetoxyborohydride
HCID 21973365
2-[(3-Amino-5-chloro-2-pyridinyl)oxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

생성물 1

HCID 178472669HCID 178472669, 화합물

출처 및 근거

ORD 기록
ord-4c2a0fca475b4368adb875db90c7fa7d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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