Water → HCID 70382071, compound

HRID 2147752Notes

Reaction equation

HRID 2147752 reaction equation
[CH3:19][N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:1][C:2]1=[C:8]2[C:7]3([C:6](=[N:5][CH:4]=[CH:3]1)[CH:15]=[CH:14][C:13](=[CH:16][C:17]#[N:18])[CH2:12]3)[CH2:11][S:10][CH2:9]2.[OH2:33]>>[C:2]1([N:23]2[CH2:22][CH2:21][N:20]([CH3:19])[CH2:25][CH2:24]2)=[C:8]2[C:7]3([C:6](=[N:5][CH:4]=[CH:3]1)[CH:15]=[CH:14][C:13](=[CH:16][C:17]#[N:18])[CH2:12]3)[CH2:11][S:10][CH2:9]2

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 531671-MethylpiperazineHCID 70418612HCID 70418612, compound

Product 1

HCID 70382071HCID 70382071, compound

Sources & evidence

ORD record
ord-336963a285094df39df2f8fbcc09cb86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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