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Tetrabutylammonium → Acetic acid 2-[3-(2-{2-[(pyridin-4-ylmethyl)-amino]-benzoylaminooxymethyl}-phenyl)-prop-2-ynyloxy]-ethyl ester

HRID 290324
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HRID 290324 반응식
[C:27]([CH3:28])(=[O:29])[O:30][CH2:31][CH2:32][O:33][CH2:34][C:35]#[CH:36].[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[I-:37].[I:1][c:2]1[c:3]([CH2:4][O:5][NH:6][C:7]([c:8]2[c:9]([NH:14][CH2:15][c:16]3[cH:17][cH:18][n:19][cH:20][cH:21]3)[cH:10][cH:11][cH:12][cH:13]2)=[O:22])[cH:23][cH:24][cH:25][cH:26]1>>[c:2]1([C:36]#[C:35][CH2:34][O:33][CH2:32][CH2:31][O:30][C:27]([CH3:28])=[O:29])[c:3]([CH2:4][O:5][NH:6][C:7]([c:8]2[c:9]([NH:14][CH2:15][c:16]3[cH:17][cH:18][n:19][cH:20][cH:21]3)[cH:10][cH:11][cH:12][cH:13]2)=[O:22])[cH:23][cH:24][cH:25][cH:26]1
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반응물 4

HCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 27801402-(Prop-2-ynyloxy)ethyl acetateHCID 11487973N-((2-iodobenzyl)oxy)-2-((pyridin-4-ylmethyl)amino)benzamide

생성물 1

HCID 11317445Acetic acid 2-[3-(2-{2-[(pyridin-4-ylmethyl)-amino]-benzoylaminooxymethyl}-phenyl)-prop-2-ynyloxy]-ethyl ester

출처 및 근거

ORD 기록
ord-2f484d3430a2456099c4911bde384b2c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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