Water → HCID 53468256, compound

HRID 2135097Notes

Reaction equation

HRID 2135097 reaction equation
[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[F:21][c:22]1[cH:23][c:24]([CH2:29][C:30](=[O:31])[OH:32])[cH:25][c:26]([F:28])[cH:27]1.[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21.[OH2:66].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[N:1]1([C:30]([CH2:29][c:24]2[cH:23][c:22]([F:21])[cH:27][c:26]([F:28])[cH:25]2)=[O:31])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21

Participants

7

Reactant 6

HCID 962WaterHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1454243,5-Difluorophenylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668235513-(2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 53468256HCID 53468256, compound

Sources & evidence

ORD record
ord-058dbd5f2b6b42e88ab9b9f6272ea01a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…