4-Aminobenzoic Acid → HCID 68754988, compound

HRID 2315268Notes

Reaction equation

HRID 2315268 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH:13]([CH2:14][C:15]#[N:16])[CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:12]2)[n:7]1.[NH2:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1.[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[c:2]1([NH:23][c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH:13]([CH2:14][C:15]#[N:16])[CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:12]2)[n:7]1

Participants

5

Reactant 4

HCID 9784-Aminobenzoic AcidHCID 6101p-Toluenesulfonic acidHCID 312751,4-DioxaneHCID 86637302HCID 86637302, compound

Product 1

HCID 68754988HCID 68754988, compound

Sources & evidence

ORD record
ord-1c3af1d465ef43a9aebf906893a8b9d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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