Hydrochloric Acid → Hydrochloric Acid

HRID 1205447Notes

Reaction equation

HRID 1205447 reaction equation
[CH2:46]([Cl:47])[Cl:48].[CH3:11][O:12][CH2:13][C:14]#[C:15][c:16]1[c:17]2[c:18]([c:19]([NH2:20])[cH:21][cH:22]1)[O:23][CH2:24][O:25]2.[CH3:1][SiH:2]([CH3:3])[N:4]([CH3:5])[Si:6]([CH3:7])([CH3:8])[CH3:9].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[Cl:26][c:27]1[c:28]([C:42]#[N:43])[cH:29][n:30][c:31]2[cH:32][c:33]([O:39][CH2:40][CH3:41])[c:34]([O:37][CH3:38])[cH:35][c:36]12.[ClH:44].[Na:10].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:45]>>[CH3:11][O:12][CH2:13][C:14]#[C:15][c:16]1[c:17]2[c:18]([c:19]([NH:20][c:27]3[c:28]([C:42]#[N:43])[cH:29][n:30][c:31]4[cH:32][c:33]([O:39][CH2:40][CH3:41])[c:34]([O:37][CH3:38])[cH:35][c:36]34)[cH:21][cH:22]1)[O:23][CH2:24][O:25]2.[ClH:26]

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 589711N-dimethylsilyl-N-trimethylsilylmethanamineHCID 5360545SodiumHCID 105634734-Chloro-7-ethoxy-6-methoxy-3-quinolinecarbonitrileHCID 210827034-(3-Methoxyprop-1-ynyl)-2,3-methylendioxyaniline

Product 2

HCID 313Hydrochloric AcidHCID 104554277-Ethoxy-6-methoxy-4-[[7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-e2f53b34d62f4bfb9e3769a927ceec42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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