Water → HCID 67410229, compound

HRID 2319040Notes

Reaction equation

HRID 2319040 reaction equation
[Br:1][c:2]1[c:3]([O:4][CH2:5][CH:6]=[CH:7][C:8](=[O:9])[OH:10])[c:11]([O:32][CH2:33][CH3:34])[cH:12][c:13]([CH:15]2[C:16]([C:30]#[N:31])=[C:17]([CH3:29])[NH:18][C:19]3=[C:24]2[C:23](=[O:25])[CH2:22][CH:21]([CH2:26][CH2:27][CH3:28])[CH2:20]3)[cH:14]1.[CH3:68][O:69][CH2:70][CH2:71][NH2:72].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:73][CH2:74][Cl:75].[OH2:76].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[Br:1][c:2]1[c:3]([O:4][CH2:5][CH:6]=[CH:7][C:8](=[O:9])[NH:72][CH2:71][CH2:70][O:69][CH3:68])[c:11]([O:32][CH2:33][CH3:34])[cH:12][c:13]([CH:15]2[C:16]([C:30]#[N:31])=[C:17]([CH3:29])[NH:18][C:19]3=[C:24]2[C:23](=[O:25])[CH2:22][CH:21]([CH2:26][CH2:27][CH3:28])[CH2:20]3)[cH:14]1

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 80182-MethoxyethylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67410399HCID 67410399, compound

Product 1

HCID 67410229HCID 67410229, compound

Sources & evidence

ORD record
ord-0f55f4256ecd40aba255604b90c34b89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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