Acetic Acid → HCID 68698620, compound

HRID 1541992Notes

Reaction equation

HRID 1541992 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[CH2:39]=[O:40].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:31](=[O:32])[O:33][CH3:34])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:27][cH:28][cH:29][cH:30]2)[CH2:18][CH:19]([NH:21][CH2:22][CH2:23][N:24]([CH3:25])[CH3:26])[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:41][CH2:42][Cl:43]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:31](=[O:32])[O:33][CH3:34])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:27][cH:28][cH:29][cH:30]2)[CH2:18][CH:19]([N:21]([CH2:22][CH2:23][N:24]([CH3:25])[CH3:26])[CH3:35])[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 712FormaldehydeHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 68697955methyl 13-cyclohexyl-6-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate

Product 1

HCID 68698620HCID 68698620, compound

Sources & evidence

ORD record
ord-5d23c52596454423b984bed115882ac7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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