Water → HCID 19029383, compound

HRID 1563862Notes

Reaction equation

HRID 1563862 reaction equation
[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH2:10][CH:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19][O:20][S:21]([CH3:22])(=[O:23])=[O:24])=[O:25])[CH3:26])[cH:6][cH:7]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46].[c:27]1([CH2:33][N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH2:10][CH:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19][N:37]2[CH2:36][CH2:35][N:34]([CH2:33][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:39][CH2:38]2)=[O:25])[CH3:26])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 759941-BenzylpiperazineHCID 19029315HCID 19029315, compound

Product 1

HCID 19029383HCID 19029383, compound

Sources & evidence

ORD record
ord-9df29dc3636b49aea1fe18d7384d27df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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