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Phthalimide → [3-(3-Chloro-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-carbamic acid tert-butyl ester

HRID 304728
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HRID 304728 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH:10]([OH:11])[c:12]1[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]1)=[O:19].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[O:20]=[C:21]1[NH:22][C:23](=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]21.[O:50]=[C:51]([O:52][CH2:53][CH3:54])[N:55]=[N:56][C:57]([O:58][CH2:59][CH3:60])=[O:61].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH:10]([c:12]1[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]1)[N:22]1[C:21](=[O:20])[c:30]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[C:23]1=[O:24])=[O:19]
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반응물 5

HCID 6809PhthalimideHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 59868413[3-(3-Chloro-phenyl)-3-hydroxy-propyl]carbamic acid tert-butyl ester

생성물 1

HCID 68107198[3-(3-Chloro-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-d633b2db6e9541fe8f8e15e4948c378f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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