Phthalic Acid → HCID 20081558, compound

HRID 1575708Notes

Reaction equation

HRID 1575708 reaction equation
[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[NH2:13][c:14]1[c:15]([CH3:50])[cH:16][c:17]([CH2:20][n:21]2[cH:22][n:23][c:24]3[c:29]2[CH2:28][CH:27]([C:30](=[O:31])[N:32]([CH3:33])[CH3:34])[N:26]([C:35]([CH:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:49])[CH2:25]3)[cH:18][cH:19]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[C:10]([OH:11])=[O:12]>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[C:10]([OH:11])=[O:12])[NH:13][c:14]1[c:15]([CH3:50])[cH:16][c:17]([CH2:20][n:21]2[cH:22][n:23][c:24]3[c:29]2[CH2:28][CH:27]([C:30](=[O:31])[N:32]([CH3:33])[CH3:34])[N:26]([C:35]([CH:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:49])[CH2:25]3)[cH:18][cH:19]1

Participants

4

Reactant 3

HCID 1017Phthalic AcidHCID 8857Ethyl AcetateHCID 20081557HCID 20081557, compound

Product 1

HCID 20081558HCID 20081558, compound

Sources & evidence

ORD record
ord-6fe0e57d09cb464a807ce0651561f98b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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