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Bicarbonate Ion → Ethyl 4-(dimethoxyphosphorylmethylamino)-5-(4-phenylphenyl)pent-2-enoate

HRID 201519
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HRID 201519 반응식
[C:37](=[O:38])([OH:39])[O-:40].[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13][cH:14]1)[NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])=[O:29].[CH2:66]([Cl:67])[Cl:68].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:51][C:52]([S:53]([O:54][CH2:59][P:60](=[O:61])([O:62][CH3:63])[O:64][CH3:65])(=[O:55])=[O:56])([F:57])[F:58].[Na+:41].[OH2:69].[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][CH:7]([CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13][cH:14]1)[NH:21][CH2:59][P:60](=[O:61])([O:62][CH3:63])[O:64][CH3:65])=[O:29]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 22098913Dimethylphosphonomethyl trifluoromethylsulfonate
HCID 67208078
Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pent-2-enoate

생성물 1

HCID 57184196Ethyl 4-(dimethoxyphosphorylmethylamino)-5-(4-phenylphenyl)pent-2-enoate

출처 및 근거

ORD 기록
ord-26510d193b644b2c9f95bd2f1de36594
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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