Ethanol → HCID 68526658, compound

HRID 297843Notes

Reaction equation

HRID 297843 reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]1[C:7](=[O:19])[c:8]2[c:9]([nH:13][c:14]([CH:17]=[O:18])[c:15]2[CH3:16])[CH2:10][CH2:11][CH2:12]1)[CH2:20][CH3:21].[CH2:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:50][CH2:51][OH:52].[Cl:22][c:23]1[c:24]([CH2:30][S:31](=[O:32])(=[O:33])[c:34]2[cH:35][c:36]3[c:40]([cH:41][cH:42]2)[NH:39][C:38](=[O:43])[CH2:37]3)[c:25]([Cl:29])[cH:26][cH:27][cH:28]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]1[C:7](=[O:19])[c:8]2[c:9]([nH:13][c:14]([CH:17]=[C:37]3[c:36]4[cH:35][c:34]([S:31]([CH2:30][c:24]5[c:23]([Cl:22])[cH:28][cH:27][cH:26][c:25]5[Cl:29])(=[O:32])=[O:33])[cH:42][cH:41][c:40]4[NH:39][C:38]3=[O:43])[c:15]2[CH3:16])[CH2:10][CH2:11][CH2:12]1)[CH2:20][CH3:21]

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 181797685-(2,6-Dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-oneHCID 592500815-(2-Diethylamino-ethyl)-3-methyl-4-oxo-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde

Product 1

HCID 68526658HCID 68526658, compound

Sources & evidence

ORD record
ord-626414e1b0a94f0c8ae25f19f4e96d64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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