Ammonium → HCID 68671304, compound

HRID 1234724Notes

Reaction equation

HRID 1234724 reaction equation
[CH3:61][OH:62].[CH:57]([O-:58])=[O:59].[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:34][C:35]([c:36]4[c:37]([N+:49]([O-:50])=[O:51])[cH:38][c:39]([N:42]5[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]5)[cH:40][cH:41]4)=[O:52])[n:10][n:11]([C:15]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:12]3[cH:13][cH:14]2)[cH:53][c:54]([F:56])[cH:55]1.[NH4+:60]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:34][C:35]([c:36]4[c:37]([NH2:49])[cH:38][c:39]([N:42]5[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]5)[cH:40][cH:41]4)=[O:52])[n:10][n:11]([C:15]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:12]3[cH:13][cH:14]2)[cH:53][c:54]([F:56])[cH:55]1

Participants

5

Reactant 4

HCID 223AmmoniumHCID 283FormateHCID 887MethanolHCID 68672067HCID 68672067, compound

Product 1

HCID 68671304HCID 68671304, compound

Sources & evidence

ORD record
ord-3dbcfee7efeb41bdba1babd03264e2f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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