Water → HCID 178522512, compound

HRID 2126131Notes

Reaction equation

HRID 2126131 reaction equation
[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:68][C:69]#[N:70].[CH3:71][CH2:72][O:73][CH2:74][CH3:75].[CH3:8][N:9]([C:10](=[N+:11]([CH3:12])[CH3:13])[O:14][n:15]1[c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1)[CH3:24].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cl:40][c:41]1[c:42]([S:48](=[O:49])(=[O:50])[O:51][c:52]2[cH:53][c:54]3[c:55]([nH:56][c:57]([NH2:59])[n:58]3)[cH:60][cH:61]2)[c:43]([Cl:47])[cH:44][cH:45][cH:46]1.[OH2:67].[OH:34][C:35](=[O:36])[CH:37]1[CH2:38][CH2:39]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7]>>[O:34]=[C:35]([CH:37]1[CH2:38][CH2:39]1)[NH:59][c:57]1[nH:56][c:55]2[c:54]([cH:53][c:52]([O:51][S:48]([c:42]3[c:41]([Cl:40])[cH:46][cH:45][cH:44][c:43]3[Cl:47])(=[O:49])=[O:50])[cH:61][cH:60]2)[n:58]1

Participants

10

Reactant 9

HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 15655Cyclopropanecarboxylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178508208HCID 178508208, compound

Product 1

HCID 178522512HCID 178522512, compound

Sources & evidence

ORD record
ord-7be55de7ff594975b60febd6c81e5e1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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