Water → HCID 58392231, compound

HRID 2336594Notes

Reaction equation

HRID 2336594 reaction equation
[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:4][S:5]([O:6][CH2:9][CH2:10][CH:11]([c:12]1[cH:13][nH:14][c:15]2[c:16]([CH2:21][S:22][CH2:23][CH3:24])[cH:17][cH:18][cH:19][c:20]12)[c:25]1[c:26]([CH3:32])[cH:27][c:28]([Cl:31])[cH:29][cH:30]1)(=[O:7])=[O:8].[K:1][C:2]#[N:3].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:33]>>[C:2](#[N:3])[CH2:9][CH2:10][CH:11]([c:12]1[cH:13][nH:14][c:15]2[c:16]([CH2:21][S:22][CH2:23][CH3:24])[cH:17][cH:18][cH:19][c:20]12)[c:25]1[c:26]([CH3:32])[cH:27][c:28]([Cl:31])[cH:29][cH:30]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 58392274HCID 58392274, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 58392231HCID 58392231, compound

Sources & evidence

ORD record
ord-b5e9972abf4f436d9ef2fccbaaee19d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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