Water → HCID 58015157, compound

HRID 1227226Notes

Reaction equation

HRID 1227226 reaction equation
[CH3:37][N:38]([C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]1[c:44]2[c:45]([n:46][cH:47][cH:48][cH:49]2)[N+:50]([O-:51])=[N:52]1)[CH3:53].[CH3:63][NH2:64].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH:1]1([N:6]2[c:7]3[c:8]([cH:16][n:17][c:18]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]4)[n:19]3)[NH:9][C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:76].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:16][n:17][c:18]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:27])[NH:38][CH3:37])[cH:28][cH:29]4)[n:19]3)[NH:9][C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 6329MethylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 58015066HCID 58015066, compoundHCID 178484291HCID 178484291, compound

Product 1

HCID 58015157HCID 58015157, compound

Sources & evidence

ORD record
ord-df77fd280e0a44b08f8302e7ab93b193
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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