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Bicarbonate Ion → Tert-butyl 2-(3,5-dichlorobenzamido)-4-phenethylbenzoate

HRID 309657
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HRID 309657 반응식
[C:40](=[O:41])([O-:42])[OH:43].[CH2:52]([Cl:53])[Cl:54].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([Cl:17])[cH:16]1.[NH2:18][c:19]1[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30]([CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:31]1.[Na+:44]>>[Cl:7][c:8]1[cH:9][c:10]([C:11](=[O:13])[NH:18][c:19]2[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30]([CH2:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:31]2)[cH:14][c:15]([Cl:17])[cH:16]1
참가 물질출처 및 근거반응 노트

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9

반응물 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 58113,5-Dichlorobenzoic acidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chloride
HCID 58508624
Tert-butyl 2-amino-4-phenethylbenzoate

생성물 1

HCID 67342900Tert-butyl 2-(3,5-dichlorobenzamido)-4-phenethylbenzoate

출처 및 근거

ORD 기록
ord-06cb0f1b15f345df9166b37808074f60
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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