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Benzene → HCID 15383947, 화합물

HRID 698426
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HRID 698426 반응식
[CH2:1]([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[Cl:14][c:15]1[cH:16][c:17]([O:18][CH2:19][CH:20]2[CH2:21][N:22]([CH:26]([CH2:27][OH:28])[CH3:29])[C:23](=[O:25])[O:24]2)[cH:30][cH:31][cH:32]1.[N:33]([C:34]([N:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)=[O:41])=[N:42][C:43]([N:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1)=[O:50].[OH:51][c:52]1[cH:53][cH:54][c:55]([CH2:56][CH:57]2[C:58](=[O:82])[N:59]([C:63]([c:64]3[cH:65][cH:66][cH:67][cH:68][cH:69]3)([c:70]3[cH:71][cH:72][cH:73][cH:74][cH:75]3)[c:76]3[cH:77][cH:78][cH:79][cH:80][cH:81]3)[C:60](=[O:62])[S:61]2)[cH:83][cH:84]1.[cH:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[Cl:14][c:15]1[cH:16][c:17]([O:18][CH2:19][CH:20]2[CH2:21][N:22]([CH:26]([CH2:27][O:28][c:52]3[cH:53][cH:54][c:55]([CH2:56][CH:57]4[C:58](=[O:82])[N:59]([C:63]([c:64]5[cH:65][cH:66][cH:67][cH:68][cH:69]5)([c:70]5[cH:71][cH:72][cH:73][cH:74][cH:75]5)[c:76]5[cH:77][cH:78][cH:79][cH:80][cH:81]5)[C:60](=[O:62])[S:61]4)[cH:83][cH:84]3)[CH3:29])[C:23](=[O:25])[O:24]2)[cH:30][cH:31][cH:32]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 241BenzeneHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 28181265-(4-Hydroxybenzyl)-3-triphenylmethylthiazolidine-2,4-dioneHCID 21474716HCID 21474716, 화합물

생성물 1

HCID 15383947HCID 15383947, 화합물

출처 및 근거

ORD 기록
ord-43f4da20c93e4bf4a47024dd8b03748b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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