Water → HCID 59366170, compound

HRID 686581Notes

Reaction equation

HRID 686581 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]([CH2:15][C:16](=[O:17])[OH:18])[N:19]2[CH2:20][CH2:21][N:22]([c:26]3[c:27]([O:36][CH3:37])[cH:28][cH:29][c:30]4[cH:31][cH:32][cH:33][n:34][c:35]34)[CH2:23][CH2:24][CH2:25]2)[CH2:12][CH2:13]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[N:38]1([CH2:43][CH2:44][NH2:45])[CH2:39][CH2:40][CH2:41][CH2:42]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[n:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]([CH2:15][C:16](=[O:18])[NH:45][CH2:44][CH2:43][N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[N:19]2[CH2:20][CH2:21][N:22]([c:26]3[c:27]([O:36][CH3:37])[cH:28][cH:29][c:30]4[cH:31][cH:32][cH:33][n:34][c:35]34)[CH2:23][CH2:24][CH2:25]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 962WaterHCID 13441-PyrrolidineethanamineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59366185HCID 59366185, compound

Product 1

HCID 59366170HCID 59366170, compound

Sources & evidence

ORD record
ord-a129b488da454ab1900e71ab44c303f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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