Chloride → 4-Aminobenzoate

HRID 2159072Notes

Reaction equation

HRID 2159072 reaction equation
[CH2:2]([CH3:3])[n+:4]1[c:5]([CH:23]=[CH:24][c:25]2[cH:26][cH:27][c:28]([N:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:29][cH:30]2)[cH:6][cH:7][cH:8][c:9]1[CH:10]=[CH:11][c:12]1[cH:13][cH:14][c:15]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:16][cH:17]1.[CH3:47][OH:48].[Cl-:1].[NH2:37][c:38]1[cH:39][cH:40][c:41]([C:44]([OH:45])=[O:46])[cH:42][cH:43]1.[Na:36]>>[CH2:2]([CH3:3])[n+:4]1[c:5]([CH:23]=[CH:24][c:25]2[cH:26][cH:27][c:28]([N:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:29][cH:30]2)[cH:6][cH:7][cH:8][c:9]1[CH:10]=[CH:11][c:12]1[cH:13][cH:14][c:15]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:16][cH:17]1.[NH2:37][c:38]1[cH:39][cH:40][c:41]([C:44](=[O:45])[O-:46])[cH:42][cH:43]1

Participants

7

Reactant 5

HCID 312ChlorideHCID 887MethanolHCID 9784-Aminobenzoic AcidHCID 196121-Ethyl-2,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridiniumHCID 5360545Sodium

Product 2

HCID 48764-AminobenzoateHCID 196121-Ethyl-2,6-bis[2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridinium

Sources & evidence

ORD record
ord-525329f49bef4292b5927cb266c03754
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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