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Bicarbonate Ion → Tert-butyl 4-(2,4-difluorophenyl)-2-(2,3-dimethylbenzamido)benzoate

HRID 177130
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HRID 177130 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].[CH3:7][c:8]1[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][c:16]1[CH3:17].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[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](-[c:32]2[c:33]([F:39])[cH:34][c:35]([F:38])[cH:36][cH:37]2)[cH:31]1.[Na+:44]>>[CH3:7][c:8]1[c:9]([C:10](=[O:12])[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](-[c:32]3[c:33]([F:39])[cH:34][c:35]([F:38])[cH:36][cH:37]3)[cH:31]2)[cH:13][cH:14][cH:15][c:16]1[CH3:17]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 117822,3-Dimethylbenzoic acidHCID 65578Oxalyl chloride
HCID 67342694
Tert-butyl 2-amino-4-(2,4-difluorophenyl)benzoate

생성물 1

HCID 67343241Tert-butyl 4-(2,4-difluorophenyl)-2-(2,3-dimethylbenzamido)benzoate

출처 및 근거

ORD 기록
ord-706baae78dd8425097b1380de23c044b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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