Water → HCID 178454588, compound

HRID 1555978Notes

Reaction equation

HRID 1555978 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:46])[C:9](=[O:45])[N:10]([c:37]3[cH:38][c:39]([Cl:44])[cH:40][c:41]([Cl:43])[cH:42]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][C:19]2([C:22](=[O:23])[NH:24][C:25]4([c:28]5[cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35][n:36]5)[CH2:26][CH2:27]4)[CH2:20][CH2:21]2)[cH:14][n:15]3)[cH:47][cH:48]1.[NH2:73][C:74]([CH2:75][OH:76])([CH3:77])[CH3:78].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:46])[C:9](=[O:45])[N:10]([c:37]3[cH:38][c:39]([Cl:44])[cH:40][c:41]([Cl:43])[cH:42]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][C:19]2([C:22](=[O:23])[NH:24][C:25]4([c:28]5[cH:29][c:30]([C:31](=[O:33])[NH:73][C:74]([CH2:75][OH:76])([CH3:77])[CH3:78])[cH:34][cH:35][n:36]5)[CH2:26][CH2:27]4)[CH2:20][CH2:21]2)[cH:14][n:15]3)[cH:47][cH:48]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 118072-Amino-2-methyl-1-propanolHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68089305HCID 68089305, compound

Product 1

HCID 178454588HCID 178454588, compound

Sources & evidence

ORD record
ord-62129b7a59134b31a1d35b884cad01e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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