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Dichloromethane → Methyl 4-bromo-5-[3-[methylcarbamoyl-(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

HRID 320409
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인쇄 미리보기

반응식

HRID 320409 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([NH:26][CH:27]3[CH2:28][C:29]([CH3:35])([CH3:36])[CH2:30][C:31]([CH3:33])([CH3:34])[CH2:32]3)[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[CH3:37][N:38]=[C:39]=[O:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:48][CH2:49][Cl:50]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([N:26]([CH:27]3[CH2:28][C:29]([CH3:35])([CH3:36])[CH2:30][C:31]([CH3:33])([CH3:34])[CH2:32]3)[C:39]([NH:38][CH3:37])=[O:40])[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 12228Methyl IsocyanateHCID 57640842Methyl 4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-[3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]thiophene-2-carboxylate

생성물 1

HCID 57640847Methyl 4-bromo-5-[3-[methylcarbamoyl-(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

출처 및 근거

ORD 기록
ord-56163af23a9b4c29bbba81ba027ff2a8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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