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Toluene → (3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-acetaldehyde

HRID 166860
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HRID 166860 반응식
[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].[CH3:43][CH:44]([CH2:45][AlH:46][CH2:47][CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[O:2]=[CH: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
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HCID 1140TolueneHCID 14487Diisobutylaluminum hydrideHCID 10188816Methyl (3-{3-[[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]propoxy}-phenyl)acetate

생성물 1

HCID 86598296(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-acetaldehyde

출처 및 근거

ORD 기록
ord-27430b66437c4d739ff27dcabddfcf55
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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