Ammonia → HCID 178513695, compound

HRID 2348809Notes

Reaction equation

[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:33]([N:36]([CH:34]([CH3:35])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([c:14]3[n:15][c:16]([N:24]4[CH:25]([C:30](=[O:31])[OH:32])[CH2:26][CH:27]([OH:29])[CH2:28]4)[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][S:22]4=[O:23])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[NH3:42].[OH2:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([c:14]3[n:15][c:16]([N:24]4[CH:25]([C:30](=[O:31])[NH2:36])[CH2:26][CH:27]([OH:29])[CH2:28]4)[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][S:22]4=[O:23])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

Reactant 5

HCID 222Ammonia

HCID 962Water

HCID 6228Dimethylformamide

HCID 81531Diisopropylethylamine

HCID 1785246201-[2-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxylic acid

Product 1

HCID 178513695HCID 178513695, compound

Sources & evidence

ORD record: ord-59d610cc47e747baaef0bbc6d20f73a6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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