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Benzene → Tert-butyl 2-(5-(bromomethyl)-2-(methoxymethoxy)benzamido)-4-phenylbenzoate

HRID 284225
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HRID 284225 반응식
[Br:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[C:54](=[O:55])([OH:56])[O-:57].[CH3:21][O:22][CH2:23][O:24][c:25]1[c:26]([C:27](=[O:28])[NH:29][c:30]2[c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40][c:41](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:42]2)[cH:49][c:50]([CH3:53])[cH:51][cH:52]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[N:9]#[C:10][C:11]([N:12]=[N:13][C:14]([C:15]#[N:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Na+:58].[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[Br:1][CH2:53][c:50]1[cH:49][c:26]([C:27](=[O:28])[NH:29][c:30]2[c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40][c:41](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:42]2)[c:25]([O:24][CH2:23][O:22][CH3:21])[cH:52][cH:51]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6547AzobisisobutyronitrileHCID 8857Ethyl AcetateHCID 67184N-bromobutanimideHCID 66991033Tert-butyl 2-(2-(methoxymethoxy)-5-methylbenzamido)-4-phenylbenzoate

생성물 1

HCID 66990849Tert-butyl 2-(5-(bromomethyl)-2-(methoxymethoxy)benzamido)-4-phenylbenzoate

출처 및 근거

ORD 기록
ord-9f9a7d44499b43fa86fcf6954730aff2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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