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1,2-Dichloroethane → Methyl 4-{[1-(2-{2-[(4-cyclohexylbenzyl)oxy]phenyl}ethyl)-6-methoxy-6-oxo-hexyl]amino}benzoate

HRID 215315
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HRID 215315 반응식
[CH:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:11][O:12][c:13]3[c:14]([CH2:19][CH2:20][C:21]([CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])=[O:30])[cH:15][cH:16][cH:17][cH:18]3)[cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:45][CH2:46][CH2:47][Cl:48].[NH2:33][c:34]1[cH:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43]1.[OH2:44]>>[CH:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:11][O:12][c:13]3[c:14]([CH2:19][CH2:20][CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[NH:33][c:34]4[cH:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43]4)[cH:15][cH:16][cH:17][cH:18]3)[cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
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반응물 4

HCID 111,2-DichloroethaneHCID 962WaterHCID 12082Methyl 4-aminobenzoateHCID 59210668Methyl 8-{2-[(4-cyclohexylbenzyl)oxy]phenyl}-6-oxooctanoate

생성물 1

HCID 59210761Methyl 4-{[1-(2-{2-[(4-cyclohexylbenzyl)oxy]phenyl}ethyl)-6-methoxy-6-oxo-hexyl]amino}benzoate

출처 및 근거

ORD 기록
ord-9d9b864d7407455c8cc5b3b89add5680
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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