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Bicarbonate Ion → methyl 4-[(3-(pyridin-3-yl)pyrrolidin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

HRID 281852
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HRID 281852 반응식
[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[Cl:24][C:25]([Cl:26])([O:27][C:28]([O:29][C:30]([Cl:31])([Cl:32])[Cl:33])=[O:34])[Cl:35].[Cl:52][CH2:53][Cl:54].[NH:36]1[CH2:37][CH:38]([c:41]2[cH:42][n:43][cH:44][cH:45][cH:46]2)[CH2:39][CH2:40]1.[Na+:47].[O:1]1[CH2:2][CH2:3][NH:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]2.[OH:48][C:49](=[O:50])[O-:51]>>[O:1]1[CH2:2][CH2:3][N:4]([C:28](=[O:34])[N:36]2[CH2:37][CH:38]([c:41]3[cH:42][n:43][cH:44][cH:45][cH:46]3)[CH2:39][CH2:40]2)[c:5]2[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 94429TriphosgeneHCID 36136513-(Pyrrolidin-3-yl)pyridineHCID 16244461methyl 3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

생성물 1

HCID 67187798methyl 4-[(3-(pyridin-3-yl)pyrrolidin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

출처 및 근거

ORD 기록
ord-93fa94e5f18a4435bba3272865c26d4a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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