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Phenol → 1-Acetyl-6-bromo-5-[(1,2,3,5,6,8a-hexahydroindolizin-7-yl)methoxy]indoline

HRID 687737
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HRID 687737 반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([OH:14])[c:10]([Br:13])[cH:11][c:12]21.[CH2:15]1[CH2:16][CH2:17][N:18]2[CH2:19][CH2:20][C:21]([CH2:24][OH:25])=[CH:22][CH:23]12.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[O:45]=[C:46]([O:47][CH2:48][CH3:49])[N:50]=[N:51][C:52]([O:53][CH2:54][CH3:55])=[O:56].[OH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([O:14][CH2:24][C:21]3=[CH:22][CH:23]4[CH2:15][CH2:16][CH2:17][N:18]4[CH2:19][CH2:20]3)[c:10]([Br:13])[cH:11][c:12]21
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 996PhenolHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 219483801-(6-Bromo-5-hydroxy-2,3-dihydro-1H-indol-1-yl)ethan-1-oneHCID 221209331,2,3,5,6,8a-Hexahydroindolizine-7-methanol

생성물 1

HCID 221209261-Acetyl-6-bromo-5-[(1,2,3,5,6,8a-hexahydroindolizin-7-yl)methoxy]indoline

출처 및 근거

ORD 기록
ord-09a594d7315f4ff384dcbcf2d2b8127f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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