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Dichloromethane → 3-[2-[benzyloxycarbonyl-[4-(pyridin-4-yl)butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid ethyl ester

HRID 2314936
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HRID 2314936 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH2:23][CH2:24][NH:25][CH2:26][CH2:27][CH2:28][CH2:29][c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[c:10](-[c:15]3[cH:16][c:17]([CH3:22])[cH:18][c:19]([CH3:21])[cH:20]3)[nH:11][c:12]2[cH:13][cH:14]1.[CH2:56]([Cl:57])[Cl:58].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:45][C:46](=[O:47])[O:48][CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH2:23][CH2:24][N:25]([CH2:26][CH2:27][CH2:28][CH2:29][c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[C:46](=[O:47])[O:48][CH2:49][c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:10](-[c:15]3[cH:16][c:17]([CH3:22])[cH:18][c:19]([CH3:21])[cH:20]3)[nH:11][c:12]2[cH:13][cH:14]1
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참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 10387Benzyl chloroformateHCID 81531DiisopropylethylamineHCID 543970972-(3,5-dimethylphenyl)-3-[2-[4-(pyridin-4-yl)butylamino]-ethyl]-1H-indole-5-carboxylic acid ethyl ester

생성물 1

HCID 541035193-[2-[benzyloxycarbonyl-[4-(pyridin-4-yl)butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-063870ffc6ee4f5d835a7449edcdb3e7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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