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Water → 2-{4-[3-(4-Hydroxymethyl-phenyl)-prop-2-ynyloxy]-phenoxymethyl}-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 295551
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반응식

HRID 295551 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][C:23]#[CH:24])[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1.[CH2:34]1[CH2:35][NH:36][CH2:37][CH2:38]1.[I:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][OH:31])[cH:32][cH:33]1.[OH2:42].[Pd:39]([Cl:40])[Cl:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][C:23]#[C:24][c:26]3[cH:27][cH:28][c:29]([CH2:30][OH:31])[cH:32][cH:33]3)[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1
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반응물 5

HCID 962WaterHCID 24290Palladium ChlorideHCID 290124-Iodobenzyl alcoholHCID 31268PyrrolidineHCID 866196562-(4-Prop-2-ynyloxy-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 684297222-{4-[3-(4-Hydroxymethyl-phenyl)-prop-2-ynyloxy]-phenoxymethyl}-pyrrolidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-1042b397dc5f484b8cf37d483c16e7c1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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