Ammonia → HCID 16722359, compound

HRID 678220Notes

Reaction equation

HRID 678220 reaction equation
[CH3:51][C:52]([CH3:53])([O-:54])[CH3:55].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[ClH:57].[F:58][C:59]1([F:65])[CH2:60][CH2:61][NH:62][CH2:63][CH2:64]1.[I:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH3:18])[n:11][n:12]2)[cH:6][cH:7]1.[N:50].[Na+:56]>>[c:2]1([N:62]2[CH2:61][CH2:60][C:59]([F:58])([F:65])[CH2:64][CH2:63]2)[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH3:18])[n:11][n:12]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 1140TolueneHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 27583524,4-DifluoropiperidineHCID 45749132-Methylpropan-2-olateHCID 67215624HCID 67215624, compound

Product 1

HCID 16722359HCID 16722359, compound

Sources & evidence

ORD record
ord-b29c31f04bcc4e4ab563de11ea944b6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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