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Methanol → 5-ethoxycarbonylmethyl-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine

HRID 2137045
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HRID 2137045 반응식
[BH4-:38].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]=[C:7]1[CH2:8][CH2:9][CH2:10][N:11]([C:19]([c:20]2[c:21]([CH3:36])[cH:22][c:23]([NH:26][C:27]([c:28]3[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]3)=[O:35])[cH:24][cH:25]2)=[O:37])[c:12]2[c:13]1[cH:14][c:15]([Cl:18])[cH:16][cH:17]2.[CH3:40][OH:41].[Na+:39].[Ni:53]([Cl:54])[Cl:55].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47].[OH2:48].[OH2:49].[OH2:50].[OH2:51].[OH2:52]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][N:11]([C:19]([c:20]2[c:21]([CH3:36])[cH:22][c:23]([NH:26][C:27]([c:28]3[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]3)=[O:35])[cH:24][cH:25]2)=[O:37])[c:12]2[c:13]1[cH:14][c:15]([Cl:18])[cH:16][cH:17]2
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참가 물질

8

반응물 7

HCID 887MethanolHCID 923Sodium IonHCID 962Water6회HCID 8028TetrahydrofuranHCID 24385Nickel DichlorideHCID 28123BorohydrideHCID 542377055-ethoxycarbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine

생성물 1

HCID 189173165-ethoxycarbonylmethyl-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine

출처 및 근거

ORD 기록
ord-b2b60271812745e49f4f9ef6767b98f6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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