Water → HCID 76192617, compound

HRID 1537527Notes

Reaction equation

HRID 1537527 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:25][CH3:26])[c:7]2[c:24]1[O:23][C:10]1=[C:9]([CH2:8]2)[CH2:13][N:12]([CH:14]([C:15](=[O:16])[OH:17])[CH2:18][CH:19]([CH3:20])[CH3:21])[C:11]1=[O:22].[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[NH2:58][c:59]1[n:60][cH:61][c:62]([Cl:65])[cH:63][cH:64]1.[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[OH2:71].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:25][CH3:26])[c:7]2[c:24]1[O:23][C:10]1=[C:9]([CH2:8]2)[CH2:13][N:12]([CH:14]([C:15](=[O:17])[NH:58][c:59]2[n:60][cH:61][c:62]([Cl:65])[cH:63][cH:64]2)[CH2:18][CH:19]([CH3:20])[CH3:21])[C:11]1=[O:22]

Participants

8

Reactant 7

HCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 661742-Amino-5-chloropyridineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67520998HCID 67520998, compound

Product 1

HCID 76192617HCID 76192617, compound

Sources & evidence

ORD record
ord-af0d703a9f0b4b2693cb9202161975d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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