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Iodoethane → 2-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-2,2-diphenylethyl-amino]-propoxy}-phenyl)-2-ethyl-butyric acid methyl ester

HRID 126221
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HRID 126221 반응식
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][c:31]2[c:32]([Cl:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[cH:8][cH:9][cH:10]1)=[O:42].[CH:43]([CH3:44])([N-:45][CH:46]([CH3:47])[CH3:48])[CH3:49].[I:51][CH2:52][CH3:53].[Li+:50]>>[CH3:1][O:2][C:3]([C:4]([c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][c:31]2[c:32]([Cl:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[cH:8][cH:9][cH:10]1)([CH2:43][CH3:44])[CH2:52][CH3:53])=[O:42]
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반응물 5

HCID 6340IodoethaneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 10188816Methyl (3-{3-[[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]propoxy}-phenyl)acetate

생성물 1

HCID 57757103
2-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-2,2-diphenylethyl-amino]-propoxy}-phenyl)-2-ethyl-butyric acid methyl ester

출처 및 근거

ORD 기록
ord-a9d15a9277fd401ea1e57be553ed0f2d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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