Water → HCID 21073052, compound

HRID 215322Notes

Reaction equation

HRID 215322 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]([N:21]([C:22]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])=[O:28])[CH2:29][c:30]3[cH:31][c:32]([Cl:37])[c:33]([Cl:36])[cH:34][cH:35]3)[cH:16][cH:17][c:18]([Cl:20])[cH:19]2)[cH:38][cH:39][cH:40]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[F:41][c:42]1[c:43]([CH2:44][NH2:45])[cH:46][cH:47][cH:48][cH:49]1.[OH2:67].[P:50]([C:51]#[N:52])([O:53][CH2:54][CH3:55])([O:56][CH2:57][CH3:58])=[O:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]([N:21]([C:22]([CH2:23][CH2:24][C:25](=[O:27])[NH:45][CH2:44][c:43]3[c:42]([F:41])[cH:49][cH:48][cH:47][cH:46]3)=[O:28])[CH2:29][c:30]3[cH:31][c:32]([Cl:37])[c:33]([Cl:36])[cH:34][cH:35]3)[cH:16][cH:17][c:18]([Cl:20])[cH:19]2)[cH:38][cH:39][cH:40]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 666492-FluorobenzylamineHCID 76257Diethyl cyanophosphonateHCID 21073053HCID 21073053, compound

Product 1

HCID 21073052HCID 21073052, compound

Sources & evidence

ORD record
ord-5dd889d044364f8eb197e45b998c08ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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