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Dichloromethane → 4-Butoxy-benzenesulfonic acid 4-(3-[1-(4-butoxy-benzenesulfonyl)-azetidin-3-ylamino]-2-hydroxy-propoxy}-phenyl Ester

HRID 170128
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HRID 170128 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]2[CH2:16][CH:17]([N:19]([CH2:20][CH:21]([CH2:22][O:23][c:24]3[cH:25][cH:26][c:27]([O:30][S:31](=[O:32])(=[O:33])[c:34]4[cH:35][cH:36][c:37]([O:40][CH2:41][CH2:42][CH2:43][CH3:44])[cH:38][cH:39]4)[cH:28][cH:29]3)[OH:45])[C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:18]2)[cH:10][cH:11]1.[Cl:60][CH2:61][Cl:62].[OH:53][C:54]([C:55]([F:56])([F:57])[F:58])=[O:59]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]2[CH2:16][CH:17]([NH:19][CH2:20][CH:21]([CH2:22][O:23][c:24]3[cH:25][cH:26][c:27]([O:30][S:31](=[O:32])(=[O:33])[c:34]4[cH:35][cH:36][c:37]([O:40][CH2:41][CH2:42][CH2:43][CH3:44])[cH:38][cH:39]4)[cH:28][cH:29]3)[OH:45])[CH2:18]2)[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 121144784-Butoxy-benzenesulfonic acid 4-(3-{[1-(4-butoxybenzene-sulfonyl)azetidin-3-yl]-tert-butoxycarbonyl-amino}-2-hydroxy-propoxy)-phenylester

생성물 1

HCID 121144794-Butoxy-benzenesulfonic acid 4-(3-[1-(4-butoxy-benzenesulfonyl)-azetidin-3-ylamino]-2-hydroxy-propoxy}-phenyl Ester

출처 및 근거

ORD 기록
ord-67441851c7504e12a2880a694c2dbdef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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