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Ethanol → Methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1-benzazepine-4-carboxylate

HRID 2310542
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HRID 2310542 반응식
[B:27]([O-:28])([O-:43])[O:44][c:29]1[cH:30][cH:31][c:32]([O:35][CH:36]([CH3:37])[O:38][CH2:39][CH2:40][CH2:41][CH3:42])[cH:33][cH:34]1.[Br:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:26]1)[CH:10]=[C:11]([C:22](=[O:23])[O:24][CH3:25])[CH2:12][CH2:13][N:14]2[C:15](=[O:16])[c:17]1[s:18][cH:19][cH:20][cH:21]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][CH2:2][OH:3].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[K+:49].[K+:50].[OH2:58]>>[c:5]1(-[c:29]2[cH:30][cH:31][c:32]([O:35][CH:36]([CH3:37])[O:38][CH2:39][CH2:40][CH2:41][CH3:42])[cH:33][cH:34]2)[cH:6][cH:7][c:8]2[c:9]([cH:26]1)[CH:10]=[C:11]([C:22](=[O:23])[O:24][CH3:25])[CH2:12][CH2:13][N:14]2[C:15](=[O:16])[c:17]1[s:18][cH:19][cH:20][cH:21]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 813Potassium Cation2회HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 22329012Methyl 7-bromo-1-(2-thienylcarbonyl)-2,3-dihydro-1-benzazepine-4-carboxylateHCID 178450557HCID 178450557, 화합물

생성물

1
HCID 22329323Methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1-benzazepine-4-carboxylate

출처 및 근거

ORD 기록
ord-59f56831413740c88d67cd46d6fc7798
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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