Ammonium → N-[2-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-2-hydroxyethyl]-N-benzyloxycarbonyl-6-(4-phenylbutoxy)hexylamine

HRID 679844

반응식

HRID 679844 반응식
[Br:14][CH2:15][CH2:16][Br:17].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][C:26](=[O:27])[N:28]([CH2:29][CH:30]=[O:31])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:1][C:2]1([CH3:13])[O:3][c:4]2[c:5]([cH:8][c:9]([Br:12])[cH:10][cH:11]2)[CH2:6][O:7]1.[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[Cl-:49].[NH4+:50]>>[CH3:1][C:2]1([CH3:13])[O:3][c:4]2[c:5]([cH:8][c:9]([CH:30]([CH2:29][N:28]([C:26]([O:25][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:27])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[OH:31])[cH:10][cH:11]2)[CH2:6][O:7]1

참가 물질

8

반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 78391,2-DibromoethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11235634Benzyl (2-oxoethyl)(6-(4-phenylbutoxy)hexyl)carbamateHCID 145203386-Bromo-2,2-dimethyl-4H-benzo[d][1,3]dioxine

생성물 1

HCID 11467416N-[2-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-2-hydroxyethyl]-N-benzyloxycarbonyl-6-(4-phenylbutoxy)hexylamine

출처 및 근거

ORD 기록
ord-69cbf047dd824c86b808fd811dbb6e85
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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