Methyl 2-amino-3-[4-(4-cyanophenyl)phenyl]propanoate → HCID 178438944, compound

HRID 670742Notes

Reaction equation

HRID 670742 reaction equation
[CH3:43][O:44][C:45]([CH:46]([CH2:47][c:48]1[cH:49][cH:50][c:51](-[c:54]2[cH:55][cH:56][c:57]([C:60]#[N:61])[cH:58][cH:59]2)[cH:52][cH:53]1)[NH2:62])=[O:63].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[O:14][c:15]4[c:16]([cH:17][c:18]5[c:23]([cH:24]4)[CH2:22][N:21]([CH:25]([CH2:26][CH3:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH:20]([C:34](=[O:35])[OH:36])[CH2:19]5)[O:37][CH2:38]3)[cH:11][cH:12]2)[cH:39][cH:40][c:41]1[Cl:42]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[O:14][c:15]4[c:16]([cH:17][c:18]5[c:23]([cH:24]4)[CH2:22][N:21]([CH:25]([CH2:26][CH3:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH:20]([C:34](=[O:35])[NH:62][CH:46]([C:45]([O:44][CH3:43])=[O:63])[CH2:47][c:48]4[cH:49][cH:50][c:51](-[c:54]6[cH:55][cH:56][c:57]([C:60]#[N:61])[cH:58][cH:59]6)[cH:52][cH:53]4)[CH2:19]5)[O:37][CH2:38]3)[cH:11][cH:12]2)[cH:39][cH:40][c:41]1[Cl:42]

Participants

3

Reactant 2

HCID 66719243Methyl 2-amino-3-[4-(4-cyanophenyl)phenyl]propanoateHCID 767615873-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-(1-phenylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carboxylic acid

Product 1

HCID 178438944HCID 178438944, compound

Sources & evidence

ORD record
ord-c16d27f5c94c4f158f7948dd40ed4fd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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