Water → Ethyl 3-[4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)quinolin-6-yl]prop-2-enoate

HRID 1568508Notes

Reaction equation

HRID 1568508 reaction equation
[C:46]([CH:47]=[CH2:48])(=[O:49])[O:50][CH2:51][CH3:52].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[c:10](-[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:11]([CH2:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:12]([CH2:17][CH:18]([CH3:19])[CH3:20])[n:13][c:14]2[cH:15][cH:16]1)(=[O:37])=[O:38].[OH2:53]>>[c:7]1([CH:48]=[CH:47][C:46](=[O:49])[O:50][CH2:51][CH3:52])[cH:8][c:9]2[c:10](-[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:11]([CH2:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:12]([CH2:17][CH:18]([CH3:19])[CH3:20])[n:13][c:14]2[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8821Ethyl AcrylateHCID 510503433-{[(Tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)quinolin-6-yl trifluoromethanesulfonate

Product 1

HCID 75606946Ethyl 3-[4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)quinolin-6-yl]prop-2-enoate

Sources & evidence

ORD record
ord-a054946c938b4603bd74b4d8d0ef6dc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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