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Tetrahydrofuran → 1-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-propyl)-3-pyrrolidinacetic acid methyl ester

HRID 1139617
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반응식

HRID 1139617 반응식
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:20][S:21]([Cl:22])(=[O:23])=[O:24].[CH3:25][O:26][C:27]([CH2:28][CH:29]1[CH2:30][NH:31][CH2:32][CH2:33]1)=[O:34].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][CH2:18][OH:19]>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][CH2:18][N:31]1[CH2:30][CH:29]([CH2:28][C:27]([O:26][CH3:25])=[O:34])[CH2:33][CH2:32]1
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반응물 5

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 110214143-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propanolHCID 13424175Methyl 2-(pyrrolidin-3-yl)acetate

생성물 1

HCID 536769941-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-propyl)-3-pyrrolidinacetic acid methyl ester

출처 및 근거

ORD 기록
ord-40c4bf35f75645548b0271f5a274316b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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