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Potassium Cation → [3-(Anthracen-9-ylmethyl-ethyl-amino)-propyl]-(3-tert-butoxycarbonylamino-propyl)-carbamic acid tert-butyl ester

HRID 1560974
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반응식

HRID 1560974 반응식
[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9]([N:10]([CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][CH2:23][CH2:24][NH:25][CH2:26][c:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12)=[O:41].[CH2:1]([CH3:2])[Br:3].[CH3:48][C:49]#[N:50].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47]>>[CH2:1]([CH3:2])[N:25]([CH2:24][CH2:23][CH2:22][N:10]([C:9]([O:8][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:41])[CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:26][c:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6332Ethyl BromideHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 11720576{3-[(Anthracen-9-ylmethyl)-amino]-propyl}-(3-tert-butoxycarbonylamino-propyl)-carbamic acid tert-butyl ester

생성물 1

HCID 11497655
[3-(Anthracen-9-ylmethyl-ethyl-amino)-propyl]-(3-tert-butoxycarbonylamino-propyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-c39bb55477b14e71a96cfc1f64600f73
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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