Acetic Acid → HCID 21901068, compound

HRID 139223Notes

Reaction equation

HRID 139223 reaction equation
[C:40]([OH:41])(=[O:42])[CH3:43].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Li+:39].[OH-:38]>>[O:3]=[C:4]([OH:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 961HydroxideHCID 1140TolueneHCID 28486Lithium ionHCID 207653161-{[4-(7-Methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

Product 1

HCID 21901068HCID 21901068, compound

Sources & evidence

ORD record
ord-a2aacc7926084f5881ba116f175d64fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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