Water → HCID 178477347, compound

HRID 137083Notes

Reaction equation

HRID 137083 reaction equation
[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[c:12]2[c:13]([n:14][c:15]([S:17][CH:18]([CH3:19])[c:20]3[c:21]([F:26])[cH:22][cH:23][cH:24][cH:25]3)[n:16]1)[n:27][c:28]([NH2:30])[s:29]2.[NH2:31][CH:32]([CH2:33][OH:34])[CH2:35][C:36]([CH3:37])([CH3:38])[F:39].[OH2:40]>>[c:11]1([NH:31][CH:32]([CH2:33][OH:34])[CH2:35][C:36]([CH3:37])([CH3:38])[F:39])[c:12]2[c:13]([n:14][c:15]([S:17][CH:18]([CH3:19])[c:20]3[c:21]([F:26])[cH:22][cH:23][cH:24][cH:25]3)[n:16]1)[n:27][c:28]([NH2:30])[s:29]2

Participants

6

Reactant 5

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 78166488HCID 78166488, compoundHCID 178477342HCID 178477342, compound

Product 1

HCID 178477347HCID 178477347, compound

Sources & evidence

ORD record
ord-ec3e5daf0b7c451cb564f9115cb50b66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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