Water → HCID 178445187, compound

HRID 176016Notes

Reaction equation

HRID 176016 reaction equation
[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24].[NH2:25][CH:26]([CH2:27][CH:28]([CH3:29])[CH3:30])[CH2:31][OH:32].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:42]>>[c:2]1([NH:25][CH:26]([CH2:27][CH:28]([CH3:29])[CH3:30])[CH2:31][OH:32])[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24]

Participants

6

Reactant 5

HCID 962WaterHCID 312751,4-DioxaneHCID 790302-Amino-4-methylpentan-1-olHCID 81531DiisopropylethylamineHCID 594758954-Chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine 5-oxide

Product 1

HCID 178445187HCID 178445187, compound

Sources & evidence

ORD record
ord-84be8e45c53747b0a11d6acdbdaaceb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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