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Bicarbonate Ion → Tert-butyl 2-(2,3-dimethylbenzamido)-4-(4-(tert-butoxycarbonyl)oxyphenyl)benzoate

HRID 152243
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HRID 152243 반응식
[C:46](=[O:47])([O-:48])[OH:49].[CH2:58]([Cl:59])[Cl:60].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[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[cH:33][cH:34][c:35]([O:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:36][cH:37]2)[cH:31]1.[Na+:50]>>[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[cH:33][cH:34][c:35]([O:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[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 67344180
Tert-butyl 2-amino-4-(4-(tert-butoxycarbonyl)oxyphenyl)benzoate

생성물 1

HCID 67342726Tert-butyl 2-(2,3-dimethylbenzamido)-4-(4-(tert-butoxycarbonyl)oxyphenyl)benzoate

출처 및 근거

ORD 기록
ord-bd29befd533b4b4fbdb0923c82468c5f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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