Benzoic Acid → HCID 68883930, compound

HRID 190228Notes

Reaction equation

HRID 190228 reaction equation
[C:31]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])(=[O:38])[O:39][CH2:40][CH3:41].[CH2:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:18][S:19][c:20]3[cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26][cH:27]3)[cH:28][cH:29][cH:30]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[OH:42][C:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:50]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:18][S:19][c:20]3[cH:21][c:22]([CH2:23][CH:32]([C:31](=[O:38])[O:39][CH2:40][CH3:41])[C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:25][cH:26][cH:27]3)[cH:28][cH:29][cH:30]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 1140TolueneHCID 7761Diethyl MalonateHCID 8082PiperidineHCID 86591572HCID 86591572, compound

Product 1

HCID 68883930HCID 68883930, compound

Sources & evidence

ORD record
ord-58831b4d1d3141f480252269ad2a25d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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