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Water → Ethyl 3-[4-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfamoyl]phenoxy]-3,5-difluorophenyl]-2-methylprop-2-enoate

HRID 2310019
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HRID 2310019 반응식
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[c:11]([F:25])[cH:12][c:13]([CH:17]=[C:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH3:24])[cH:14][c:15]2[F:16])[cH:26][cH:27]1.[Cl:51][CH2:52][Cl:53].[N:28](=[N+:29]=[N-:30])[CH2:31][CH2:32][O:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41][NH2:42].[OH2:50]>>[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[c:11]([F:25])[cH:12][c:13]([CH:17]=[C:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH3:24])[cH:14][c:15]2[F:16])[cH:26][cH:27]1)[NH:42][CH2:41][CH2:40][O:39][CH2:38][CH2:37][O:36][CH2:35][CH2:34][O:33][CH2:32][CH2:31][N:28]=[N+:29]=[N-:30]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 27352801-Amino-11-azido-3,6,9-trioxaundecaneHCID 91074155Ethyl 3-[4-(4-chlorosulfonylphenoxy)-3,5-difluorophenyl]-2-methylprop-2-enoate

생성물 1

HCID 91106817
Ethyl 3-[4-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfamoyl]phenoxy]-3,5-difluorophenyl]-2-methylprop-2-enoate

출처 및 근거

ORD 기록
ord-5ee99aea9e9c4fc49100588f9d8f3014
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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