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Phenol → HCID 178498327, 화합물

HRID 1136281
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HRID 1136281 반응식
[CH2:79]1[O:80][CH2:81][CH2:82][CH2:83]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([OH:26])[c:7]([S:10]([NH:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:21]([NH2:22])=[O:23])(=[O:24])=[O:25])[cH:8][cH:9]1)=[O:27].[O:67]=[C:68]([O:69][CH2:70][CH3:71])[N:72]=[N:73][C:74]([O:75][CH2:76][CH3:77])=[O:78].[c:28]1([OH:29])[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[n:35]1[cH:36][cH:37][cH:38][c:39]2[c:40]([CH2:45][CH2:46][OH:47])[cH:41][cH:42][cH:43][c:44]12>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:26][CH2:46][CH2:45][c:40]2[c:39]3[cH:38][cH:37][cH:36][n:35][c:44]3[cH:43][cH:42][cH:41]2)[c:7]([S:10]([NH:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:21]([NH2:22])=[O:23])(=[O:24])=[O:25])[cH:8][cH:9]1)=[O:27]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 996PhenolHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 225041322-(Quinolin-5-yl)ethan-1-olHCID 178498326HCID 178498326, 화합물

생성물 1

HCID 178498327
HCID 178498327, 화합물

출처 및 근거

ORD 기록
ord-a820bfe1a4064db1a284d22371854284
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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