Water → HCID 59639515, compound

HRID 1225496Notes

Reaction equation

HRID 1225496 reaction equation
[CH2:35]([CH3:36])[N:37]([CH2:38][CH2:39][NH2:40])[CH2:41][CH3:42].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][c:7](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:8]2[c:9]([n:10]1)[n:11](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:12](=[O:15])[cH:13][cH:14]2.[CH3:28][N:29]1[CH2:30][CH2:31][CH2:32][C:33]1=[O:34].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[OH2:43]>>[c:5]1([NH:40][CH2:39][CH2:38][N:37]([CH2:35][CH3:36])[CH2:41][CH3:42])[n:6][c:7](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:8]2[c:9]([n:10]1)[n:11](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:12](=[O:15])[cH:13][cH:14]2

Participants

6

Reactant 5

HCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 60993N,N-DiethylethylenediamineHCID 59639663HCID 59639663, compound

Product 1

HCID 59639515HCID 59639515, compound

Sources & evidence

ORD record
ord-a3a2af8939ae4a8088c55d0a5bf4f234
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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