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1,2-Dichloroethane → 4-{[({[3-(methylsulfanyl)phenyl](1-methyl-1H-tetrazol-5-yl)methylene}amino)oxy]methyl}-N-(3-phenylpropyl)-1,3-thiazol-2-amine

HRID 171597
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HRID 171597 반응식
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:1][S:2][c:3]1[cH:4][c:5]([C:9]([c:10]2[n:11][n:12][n:13][n:14]2[CH3:15])=[N:16][O:17][CH2:18][c:19]2[n:20][c:21]([NH2:24])[s:22][cH:23]2)[cH:6][cH:7][cH:8]1.[CH3:35][C:36](=[O:37])[OH:38].[Cl:53][CH2:54][CH2:55][Cl:56].[Cl:57][CH2:58][Cl:59].[Na+:52].[Na+:64].[O-:60][C:61]([OH:62])=[O:63].[c:25]1([CH2:31][CH2:32][CH:33]=[O:34])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][S:2][c:3]1[cH:4][c:5]([C:9]([c:10]2[n:11][n:12][n:13][n:14]2[CH3:15])=[N:16][O:17][CH2:18][c:19]2[n:20][c:21]([NH:24][CH2:33][CH2:32][CH2:31][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[s:22][cH:23]2)[cH:6][cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 6344DichloromethaneHCID 7707BenzenepropanalHCID 2724942Triacetoxyborohydride
HCID 86653145
4-{[({[3-(methylsulfanyl)phenyl](1-methyl-1H-tetrazol-5-yl)methylene}amino)oxy]methyl}-1,3-thiazol-2-amine

생성물 1

HCID 866531464-{[({[3-(methylsulfanyl)phenyl](1-methyl-1H-tetrazol-5-yl)methylene}amino)oxy]methyl}-N-(3-phenylpropyl)-1,3-thiazol-2-amine

출처 및 근거

ORD 기록
ord-281725966b2b4db797987e34a2c4f9a3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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