Water → HCID 11852567, compound

HRID 148159Notes

Reaction equation

HRID 148159 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:36])[c:14](-[c:18]3[cH:19][n:20]([CH3:35])[c:21](=[O:34])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:37][cH:38]1.[CH3:75][N:76]1[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]1.[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[OH2:82].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]([CH3:50])[CH3:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:36])[c:14](-[c:18]3[cH:19][n:20]([CH3:35])[c:21](=[O:34])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([C:29](=[O:30])[N:79]5[CH2:78][CH2:77][N:76]([CH3:75])[CH2:81][CH2:80]5)[cH:32][cH:33]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:37][cH:38]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 248572334-{6-[3-(4-tert-Butyl-benzoylamino)-2-methyl-phenyl]-4-methyl-3-oxo-3,4-dihydro-pyrazin-2-ylamino}-benzoic acid

Product 1

HCID 11852567HCID 11852567, compound

Sources & evidence

ORD record
ord-17294650558e4ac2a0607bb59220dd5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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