Water → HCID 86759439, compound

HRID 136815Notes

Reaction equation

HRID 136815 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([NH2:27])[cH:28][cH:29]1)([F:30])[F:31].[O:1]=[C:2]1[S:3][C:4](=[CH:8][c:9]2[cH:10][cH:11][c:12]([O:19][CH3:20])[c:13]([CH2:15][C:16](=[O:17])[OH:18])[cH:14]2)[C:5](=[O:7])[NH:6]1.[OH2:49].[P:39]([C:40]#[N:41])([O:42][CH2:43][CH3:44])([O:45][CH2:46][CH3:47])=[O:48]>>[O:1]=[C:2]1[S:3][C:4](=[CH:8][c:9]2[cH:10][cH:11][c:12]([O:19][CH3:20])[c:13]([CH2:15][C:16](=[O:18])[NH:27][c:26]3[cH:25][cH:24][c:23]([C:22]([F:21])([F:30])[F:31])[cH:29][cH:28]3)[cH:14]2)[C:5](=[O:7])[NH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 99644-(Trifluoromethyl)anilineHCID 76257Diethyl cyanophosphonateHCID 72644366HCID 72644366, compound

Product 1

HCID 86759439HCID 86759439, compound

Sources & evidence

ORD record
ord-83e9739b21c946819d431e0263f89627
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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