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1,2-Dichloroethane → N1-(benzo[d]isothiazol-3-yl)-N3-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine

HRID 2327941
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HRID 2327941 반응식
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([CH:29]=[O:30])[cH:27][cH:28]2)[cH:21][cH:22]1.[CH3:45][C:46](=[O:47])[OH:48].[Cl:49][CH2:50][CH2:51][Cl:52].[Na+:44].[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][NH2:14])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][NH:14][CH2:29][c:26]2[cH:25][cH:24][c:23](-[c:20]3[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:22][cH:21]3)[cH:28][cH:27]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2
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HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium IonHCID 13944874'-Methoxy-(1,1'-biphenyl)-4-carboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 57436551N1-(benzo[d]isothiazol-3-yl)propane-1,3-diamine

생성물 1

HCID 58726830
N1-(benzo[d]isothiazol-3-yl)-N3-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine

출처 및 근거

ORD 기록
ord-8016e13f39944e32ba27073912db58f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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