Water → HCID 178521961, compound

HRID 1556044Notes

Reaction equation

HRID 1556044 reaction equation
[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH2:23])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1.[OH2:37].[c:28]1([N:34]=[C:35]=[O:36])[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:23][C:35]([NH:34][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)=[O:36])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 7672Phenyl isocyanateHCID 8857Ethyl AcetateHCID 178507748HCID 178507748, compound

Product 1

HCID 178521961HCID 178521961, compound

Sources & evidence

ORD record
ord-03aa2fd27e96433aa9952404b84d46e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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