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Acetonitrile → CID 76088666

HRID 801381
노트
인쇄 미리보기

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HRID 801381 반응식
[CH3:74][C:75]#[N:76].[CH3:77][N:78]([c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1)[CH3:85].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[NH2:66][c:67]1[c:68]([SH:73])[cH:69][cH:70][cH:71][cH:72]1.[O:10]=[C:11]1[CH:12]([C:36](=[O:37])[O:38][CH2:39][c:40]2[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]2)[N:13]2[C:14](=[O:35])[CH:15]([C:18]([CH3:19])([O:20][C:21](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]3)[CH3:34])[CH:16]2[CH2:17]1.[P:49]([Cl:50])([O:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)([O:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)=[O:65]>>[C:11]1([S:73][c:68]2[c:67]([NH2:66])[cH:72][cH:71][cH:70][cH:69]2)=[C:12]([C:36](=[O:37])[O:38][CH2:39][c:40]2[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]2)[N:13]2[C:14](=[O:35])[CH:15]([C:18]([CH3:19])([O:20][C:21](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]3)[CH3:34])[CH:16]2[CH2:17]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6342AcetonitrileHCID 87132-AminothiophenolHCID 142844-(Dimethylamino)pyridineHCID 75654Diphenyl chlorophosphateHCID 81531DiisopropylethylamineHCID 178459901HCID 178459901, 화합물

생성물 1

HCID 178459902
CID 76088666

출처 및 근거

ORD 기록
ord-46f8ee04c1034b209243eba882789126
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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