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Bicarbonate Ion → Tert-butyl 3-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]-4-[[methyl-(2-phenylacetyl)amino]methyl]pyrrolidine-1-carboxylate

HRID 148011
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HRID 148011 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:16][N:17]([C:18]([c:19]2[cH:20][c:21]([O:27][CH2:28][CH2:29][CH2:30][O:31][CH3:32])[c:22]([O:25][CH3:26])[cH:23][cH:24]2)=[O:33])[CH:34]([CH3:35])[CH3:36])[CH:11]([CH2:13][NH:14][CH3:15])[CH2:12]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:59][CH2:60][Cl:61].[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[c:37]1([CH2:43][C:44](=[O:45])[Cl:46])[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:16][N:17]([C:18]([c:19]2[cH:20][c:21]([O:27][CH2:28][CH2:29][CH2:30][O:31][CH3:32])[c:22]([O:25][CH3:26])[cH:23][cH:24]2)=[O:33])[CH:34]([CH3:35])[CH3:36])[CH:11]([CH2:13][N:14]([CH3:15])[C:44]([CH2:43][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:45])[CH2:12]1
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 7679Phenylacetyl chlorideHCID 8471TriethylamineHCID 68616633Tert-butyl 3-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]-4-(methylaminomethyl)pyrrolidine-1-carboxylate

생성물 1

HCID 68617126
Tert-butyl 3-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]-4-[[methyl-(2-phenylacetyl)amino]methyl]pyrrolidine-1-carboxylate

출처 및 근거

ORD 기록
ord-be58b8b8a86d4308947c023c7da12e0c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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