Acetic Acid → Lucitanib

HRID 2319480Notes

Reaction equation

HRID 2319480 reaction equation
[BrH:48].[C:53](=[O:54])([O-:55])[O-:56].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:29][c:30]3[cH:31][c:32]4[cH:33][cH:34][cH:35][c:36]([C:40]([NH:41][CH3:42])=[O:43])[c:37]4[cH:38][cH:39]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][C:15]1([NH:18][C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:16][CH2:17]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:49][C:50](=[O:51])[OH:52].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[Na+:57].[Na+:58].[OH2:65]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:29][c:30]3[cH:31][c:32]4[cH:33][cH:34][cH:35][c:36]([C:40]([NH:41][CH3:42])=[O:43])[c:37]4[cH:38][cH:39]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][C:15]1([NH2:18])[CH2:16][CH2:17]1

Participants

8

Reactant 7

HCID 176Acetic Acid2×HCID 260Hydrogen BromideHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24905361HCID 24905361, compound

Product 1

HCID 25031915Lucitanib

Sources & evidence

ORD record
ord-a8bcbc5326bd420f9c83cb305cb788d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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