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Hydroxide → tert-Butyl 3-(4-(2-(4-(2-ethylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl)phenethoxy)propanoate

HRID 296254
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HRID 296254 반응식
[C:44]([CH:45]=[CH2:46])(=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52].[CH2:13]([CH3:14])[c:15]1[s:16][cH:17][c:18]([C:20](=[O:21])[N:22]2[CH2:23][CH2:24][O:25][C:26]3([CH2:27]2)[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][c:35]2[cH:36][cH:37][c:38]([CH2:41][CH2:42][OH:43])[cH:39][cH:40]2)[CH2:31][CH2:32]3)[n:19]1.[CH3:2][N+:3]([CH3:4])([CH3:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:53][C:54]#[N:55].[OH-:1]>>[CH2:13]([CH3:14])[c:15]1[s:16][cH:17][c:18]([C:20](=[O:21])[N:22]2[CH2:23][CH2:24][O:25][C:26]3([CH2:27]2)[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][c:35]2[cH:36][cH:37][c:38]([CH2:41][CH2:42][O:43][CH2:46][CH2:45][C:44](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:39][cH:40]2)[CH2:31][CH2:32]3)[n:19]1
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참가 물질

6

반응물 5

HCID 961HydroxideHCID 5964BenzyltrimethylammoniumHCID 6342AcetonitrileHCID 15458tert-Butyl acrylateHCID 58168519(2-Ethylthiazol-4-yl)(9-(4-(2-hydroxyethyl)phenethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

생성물 1

HCID 58168598
tert-Butyl 3-(4-(2-(4-(2-ethylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl)phenethoxy)propanoate

출처 및 근거

ORD 기록
ord-7dec752dad1e41bdbb9823a8755f2669
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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