Acetonitrile → HCID 66670071, compound

HRID 2340075Notes

Reaction equation

HRID 2340075 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH3:38][O:39][C:40](=[O:41])[NH:42][CH:43]([C:44](=[O:45])[OH:46])[C:47]([CH3:48])([CH3:49])[CH3:50].[CH3:94][C:95]#[N:96].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[OH:60][n:61]1[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[n:68][n:69]1.[P-:70]([F:71])([F:72])([F:73])([F:74])([F:75])[F:76].[n:77]1([O:78][C:79]([N:80]([CH3:81])[CH3:82])=[N+:83]([CH3:84])[CH3:85])[c:86]2[cH:87][cH:88][cH:89][cH:90][c:91]2[n:92][n:93]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[N:15]([C:44]([CH:43]([NH:42][C:40]([O:39][CH3:38])=[O:41])[C:47]([CH3:48])([CH3:49])[CH3:50])=[O:45])[CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 103301332-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acidHCID 207653161-{[4-(7-Methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

Product 1

HCID 66670071HCID 66670071, compound

Sources & evidence

ORD record
ord-d424d0690faf4bf7abc500ebe130ab2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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