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Dichloromethane → Tert-butyl 4-[2-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

HRID 2321014
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HRID 2321014 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:22])([CH3:23])[O:10][CH2:11][CH:12]1[CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:33][c:34]1[cH:35][c:36]([N:41]=[C:42]=[O:43])[cH:37][cH:38][c:39]1[Cl:40].[Cl:44][CH2:45][Cl:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:22])([CH3:23])[O:10][CH2:11][CH:12]1[CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][C:42]([NH:41][c:36]2[cH:35][c:34]([Cl:33])[c:39]([Cl:40])[cH:38][cH:37]2)=[O:43])[cH:19][cH:20]1
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반응물 4

HCID 6344DichloromethaneHCID 76073,4-Dichlorophenyl isocyanateHCID 81531DiisopropylethylamineHCID 66705808Tert-butyl 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

생성물 1

HCID 67151625Tert-butyl 4-[2-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

출처 및 근거

ORD 기록
ord-d6db3182dbaf41379a81cd69638c2a22
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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