Acetic Acid → 2-[3-(4,6-Dichloroindol-2-ylmethylamino)prop-1-ylamino]-1H-quinolin-4-one

HRID 165165

Reaction equation

HRID 165165 reaction equation
[C:52]([BH3-:53])#[N:54].[C:63]([OH:64])(=[O:65])[CH3:66].[CH2:18]([N:19]([Al:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[N:26]([CH2:27][CH3:28])[CH2:29][CH3:30])[CH2:31][CH3:32])[CH3:33].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:61][OH:62].[CH3:67][CH2:68][O:69][CH2:70][CH3:71].[Cl:1][c:2]1[c:3]2[cH:4][c:5]([C:12]([O:13][CH2:14][CH3:15])=[O:16])[nH:6][c:7]2[cH:8][c:9]([Cl:11])[cH:10]1.[ClH:35].[H-:17].[NH2:36][CH2:37][CH2:38][CH2:39][NH:40][c:41]1[nH:42][c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[c:49](=[O:51])[cH:50]1.[Na+:34].[Na+:55].[OH2:72]>>[Cl:1][c:2]1[c:3]2[cH:4][c:5]([CH2:12][NH:36][CH2:37][CH2:38][CH2:39][NH:40][c:41]3[nH:42][c:43]4[cH:44][cH:45][cH:46][cH:47][c:48]4[c:49](=[O:51])[cH:50]3)[nH:6][c:7]2[cH:8][c:9]([Cl:11])[cH:10]1

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 166653HydrideHCID 498716Cyano-borohydrideHCID 2736407ethyl 4,6-dichloro-1H-indole-2-carboxylateHCID 108569252-[(3-Aminopropyl)amino]-1,4-dihydroquinolin-4-oneHCID 16685030Tri(diethylamino)aluminum

Product 1

HCID 445339602-[3-(4,6-Dichloroindol-2-ylmethylamino)prop-1-ylamino]-1H-quinolin-4-one

Sources & evidence

ORD record
ord-68d270a79be044feaf8a58dbee0a8f7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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