2-Chlorobenzothiazole → Tert-butyl 2-[[4-(1,3-benzothiazol-2-yloxy)phenoxy]methyl]pyrrolidine-1-carboxylate

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]([OH:21])[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1.[Cl:22][c:23]1[s:24][c:25]2[c:26]([n:27]1)[cH:28][cH:29][cH:30][cH:31]2>>[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][c:23]3[s:24][c:25]4[c:26]([n:27]3)[cH:28][cH:29][cH:30][cH:31]4)[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1

참가 물질

반응물 2

HCID 119872-Chlorobenzothiazole

HCID 59752861(4-Hydroxy-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 68998779Tert-butyl 2-[[4-(1,3-benzothiazol-2-yloxy)phenoxy]methyl]pyrrolidine-1-carboxylate

출처 및 근거

ORD 기록: ord-11645b6c931e4dedb58295f15f4ccc32
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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