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Dichloromethane → Tert-butyl 1-benzoyl-4-{[4-(2-butynyloxy)phenyl]sulfonyl}-1,4-diazepane-5-carboxylate

HRID 88355
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HRID 88355 반응식
[C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)(=[O:43])[Cl:44].[CH2:1]([C:2]#[C:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH:21]2[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:10][cH:11]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:45][N:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][n:52]1)[CH3:53].[Cl:54][CH2:55][Cl:56]>>[CH2:1]([C:2]#[C:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]2[CH2:16][CH2:17][N:18]([C:36]([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)=[O:43])[CH2:19][CH2:20][CH:21]2[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:10][cH:11]1
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반응물 5

HCID 6344DichloromethaneHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 218852-DimethylaminopyridineHCID 22644870tert-Butyl 4-{[4-(2-butynyloxy)phenyl]sulfonyl)-1,4-diazepane-5-carboxylate

생성물 1

HCID 22644961Tert-butyl 1-benzoyl-4-{[4-(2-butynyloxy)phenyl]sulfonyl}-1,4-diazepane-5-carboxylate

출처 및 근거

ORD 기록
ord-f42acf1d539e472dbc36eada838f55d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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