Water → HCID 58387892, compound

HRID 1223758Notes

Reaction equation

HRID 1223758 reaction equation
[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][c:26]1[cH:27][c:28]([NH2:29])[cH:30][cH:31][cH:32]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][N:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][n:47]1)[CH3:48].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[OH2:49].[S:1]([Cl:2])([Cl:3])=[O:4].[n:5]1[cH:6][cH:7][cH:8][c:9]2[cH:10][c:11]([C:15](=[O:16])[OH:17])[cH:12][cH:13][c:14]12>>[n:5]1[cH:6][cH:7][cH:8][c:9]2[cH:10][c:11]([C:15](=[O:17])[NH:29][c:28]3[cH:27][c:26]([O:25][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:32][cH:31][cH:30]3)[cH:12][cH:13][c:14]12

Participants

8

Reactant 7

HCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 218852-DimethylaminopyridineHCID 24386Thionyl ChlorideHCID 825716-Quinolinecarboxylic acidHCID 928923-Benzyloxyaniline

Product 1

HCID 58387892HCID 58387892, compound

Sources & evidence

ORD record
ord-61bb873136e144aaa16e36fbab781ee9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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