Water → HCID 58346710, compound

HRID 1538881Notes

Reaction equation

HRID 1538881 reaction equation
[CH2:33]1[CH2:34][NH:35][CH2:36][CH2:37][NH:38]1.[CH3:1][S:2]([O:3][CH2:6][CH2:7][n:8]1[n:9][cH:10][c:11]2[c:16]1[CH2:15][CH2:14][c:13]1[c:12]-2[s:19][c:18]2[c:17]1[c:23]([NH:24][c:25]1[cH:26][c:27]([Cl:32])[c:28]([F:31])[cH:29][cH:30]1)[n:22][cH:21][n:20]2)(=[O:4])=[O:5].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[CH2:6]([CH2:7][n:8]1[n:9][cH:10][c:11]2[c:16]1[CH2:15][CH2:14][c:13]1[c:12]-2[s:19][c:18]2[c:17]1[c:23]([NH:24][c:25]1[cH:26][c:27]([Cl:32])[c:28]([F:31])[cH:29][cH:30]1)[n:22][cH:21][n:20]2)[N:35]1[CH2:34][CH2:33][NH:38][CH2:37][CH2:36]1

Participants

6

Reactant 5

HCID 962WaterHCID 4837PiperazineHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 58346539HCID 58346539, compound

Product 1

HCID 58346710HCID 58346710, compound

Sources & evidence

ORD record
ord-f6a3e464ad7d49dab5fbb297e724b6bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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