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Dichloromethane → 3-Cyclohexyl-5-ethoxy-1,3-dihydro-1-[2-methoxy-4-[N-(1,1-dimethylpropyl)carbamoyl]benzyl]-2H-benzimidazol-2-one

HRID 192226
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HRID 192226 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([O:34][CH3:35])[c:11]([CH2:12][n:13]2[c:14](=[O:31])[n:15]([CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[c:16]3[c:17]2[cH:18][cH:19][c:20]([O:22][CH2:23][CH3:24])[cH:21]3)[cH:32][cH:33]1.[C:45]([NH2:46])([CH2:47][CH3:48])([CH3:49])[CH3:50].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:51][CH2:52][Cl:53]>>[C:1]([CH3:2])([CH2:3][CH3:36])([CH3:4])[NH:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([O:34][CH3:35])[c:11]([CH2:12][n:13]2[c:14](=[O:31])[n:15]([CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[c:16]3[c:17]2[cH:18][cH:19][c:20]([O:22][CH2:23][CH3:24])[cH:21]3)[cH:32][cH:33]1
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반응물 4

HCID 6344DichloromethaneHCID 689862-Butanamine, 2-methyl-HCID 81531DiisopropylethylamineHCID 229224911-[4-(N-tert-Butylcarbamoyl)-2-methoxybenzyl]-3-cyclohexyl-5-ethoxy-1,3-dihydro-2H-benzimidazol-2-one

생성물 1

HCID 229225423-Cyclohexyl-5-ethoxy-1,3-dihydro-1-[2-methoxy-4-[N-(1,1-dimethylpropyl)carbamoyl]benzyl]-2H-benzimidazol-2-one

출처 및 근거

ORD 기록
ord-bb2673887c0f45b0972e0fd080162399
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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